Cas no 7226-23-5 (1,3-dimethyl-1,3-diazinan-2-one)

1,3-Dimethyl-1,3-diazinan-2-one is a cyclic urea derivative characterized by its six-membered diazinanone structure. This compound exhibits notable stability and reactivity, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its rigid heterocyclic framework allows for selective functionalization, facilitating the development of biologically active molecules. The presence of two methyl groups enhances its lipophilicity, improving solubility in organic solvents. This compound is particularly useful in the synthesis of agrochemicals, medicinal compounds, and specialty chemicals due to its versatile reactivity profile. Its well-defined structure and consistent purity ensure reliable performance in research and industrial processes.
1,3-dimethyl-1,3-diazinan-2-one structure
7226-23-5 structure
Product Name:1,3-dimethyl-1,3-diazinan-2-one
CAS No:7226-23-5
MF:C6H12N2O
MW:128.172281265259
MDL:MFCD00006550
CID:47293
PubChem ID:81646
Update Time:2026-05-28

1,3-dimethyl-1,3-diazinan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dimethyltetrahydropyrimidin-2(1H)-one
    • DMPU
    • DIMETHYLPROPYLENE UREA
    • DIMETHYL(1,3-)-3,4,5,6-TETRAHYDRO-2H-PYRIMIDONE
    • 1,3-DIMETHYLTETRAHYDRO-2-PYRIMIDINONE
    • 1,3-DIMETHYL-PROPYLENEUREA
    • 1,3-DIMETHYL-2-OXOHEXAHYDROPYIRIMIDINE
    • N,N'-Dimethyl-N,N'-trimethyleneurea
    • N,N'-Dimethylpropyleneurea
    • Tetrahydro-1,3-dimethyl-2(1H)pyrimidine
    • tetrahydro-1,3-dimethyl-2(1h)-pyrimidinon
    • N,N'-Dimethylpropyleneurea (DMPU)
    • 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
    • 1,3-dimethyl-1,3-diazinan-2-one
    • N,N`-Dimethylpropyleneurea
    • 1,3-DiMethyl-3,4,5,6-tetrahydro-2(1H)-pyriMidinone (DMPU)
    • N,N′-Dimethylpropylene urea
    • Dimethylpropyleneurea
    • 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-
    • N,N'-Dimethyltrimethyleneurea
    • N,N'-Dimethylpropylene urea
    • Tetrahydro-1,3-dimethyl-1H-pyrimidin-2-one
    • GUVUOGQBMYCBQP-UHFFFAOYSA-N
    • 1,3-Dimethyltetrahydro-2(1H)-pyrimidinon
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinon
    • N,N'-dimethyl-1,4,5,6-tetrahydro-2-pyrimidone
    • dimethylpropyl-eneurea
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)pyrimidinone
    • 1,3-dimethyl-3,4,5, 6-tetrahydro -2(1H)-pyrimidinone
    • 1,3-Dimethyl-tetrahydro-2(1H)-pyrimidone
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2(1 H)-pyrimidinone
    • 1,3 dimethyl 3,4,5,6-tetrahydro-2-pyrimidone
    • DTXSID3074575
    • BCP25854
    • 1,3-di-methyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
    • MFCD00006550
    • 1,3-dimethyl-2,4,5,6-tetrahydro-2(1H)-pyrimidinone
    • AKOS005145503
    • 1,3-Dmethyl-3,4,5,6-Tetrahydro-2(1H)-Pyrimidinone
    • 1,3-dimethyl-3,4,5,6-tetra-hydro-(1H)-pyrimidin-2-one
    • CCRIS 4322
    • N,N'-Dimethylproyleneurea
    • InChI=1/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H
    • AMY12538
    • J-503925
    • SCHEMBL82580
    • LABOTEST-BB LT00848352 DMPU DIMETHYLPROPYLENE UREA DIMETHYL(1,3-)-3,4,5,6-TETRAHYDRO-2H-PYRIMIDONE 1,3-DIMET
    • Z1237078782
    • 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone, absolute, over molecular sieve (H2O <=0.03%), >=99.0% (GC)
    • F0001-1844
    • A837469
    • 1,3-dim-ethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)pyrimdinone
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2-(1H)-pyrimidinone
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrirnidinone
    • EN300-82368
    • STR03401
    • 1,3-dimethyl-tetrahydro -pyrimidin-2-one
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2-(1H)pyrimidone
    • 1,3-dimethyl-3,4,5,6-tetrahydropyrimidinone
    • 1,3-dimethyl-3,4,5,6-tetrahydropyrimidin-2-one
    • Tetrahydro-1,3-dimethyl-2(1H)pyrimidin-2-onee
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2 (1 H)-pyrimidinone
    • 1,3-dimethyltetrahydro-2-(1H)-pyrimidinone
    • D2014
    • PB47348
    • 1,3-dimethyl-3,4,5,6-tetrahydro- -2-(1H)-pyrimidone
    • 1,3-Dimethyl-2-oxohexahydropyrimidine, N,N'-Dimethylpropylene urea, DMPU
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2 (1H)-pyrimidinone
    • 1,3-Dimethyl-2-oxohexahydropyrimidine
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidone
    • P17490
    • N, N'-dimethylpropyleneurea
    • BRN 0110562
    • 1,3-dimethyl -3,4,5,6-tetrahydro-2(1H)-pyrimidinone
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)- pyrimidinone
    • HY-Y0100
    • 1,3-dimethyl-3,4,5,6-tetrahydro 2(1H) pyrimidone
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2 (1h)pyrimidinone
    • 1,3-dimethyl-3,4,5,6tetrahydro-2(1H)-pyrimidinone
    • EC 230-625-6
    • 1,3-dimethyl-tetrahydropyrimidin-2-one
    • CHEMBL12284
    • N,N'-dimethyl -1,4,5,6-tetrahydro-2-pyrimidone
    • dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2-pyrimidinone
    • 1,3-dimethyl-3,4,5,6-tetrahydro-(1H)-pyrimidin-2-one
    • NS00005527
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2 (1H)-pyrimidone
    • 1,3-Dimethyltetrahydro-2(1H)-pyrimidinone
    • 1,3-dimethyl-3,4,5,6-tetrahydro2(1H)-pyrimidinone
    • n,n-dimethyl-propylene-urea
    • 1,3-dimethyltetrahydro-2-pyrimidone
    • SY002520
    • 1,3-dimethyl tetrahydropyrimidin-2(1H)-one
    • 7226-23-5
    • 1,3-dimethyl-3,4,5,6-tetrahydro 2 (1H)-pyrimidinone
    • FT-0606689
    • 1,3-di- methyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
    • 1,3-dimethyltetrahydro-2(1H)-pyrimidone
    • 1,3-dimethyl-tetrahydro-2-1H-pyrimidinone
    • 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone, 98%
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2[1H]-pyrimidinone
    • 1,3-dimethyltetrahydro-2(1H)pyrimidinon
    • Q416637
    • CS-W009128
    • 1,3-dimethyl-3,4,5,6-tetrahydro-2 [1H]-pyrimidinone
    • 1,3-Dimethyl-tetrahydro-pyrimidin-2-one
    • 2-PYRIMIDONE,TETRAHYDRO,1,3-DIMETHYL
    • EINECS 230-625-6
    • 1,3-dimethyl propylene urea
    • DB-011617
    • 1,3Dimethyltetrahydropyrimidin2(1H)one
    • FT28861
    • DMPU;1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone;N,N?-Dimethylpropylene urea
    • 2(1H)Pyrimidinone, tetrahydro1,3dimethyl
    • 230-625-6
    • N,N'Dimethyltrimethyleneurea
    • 1,3Dimethyl3,4,5,6tetrahydro2(1H)pyrimidinone
    • DTXCID1047281
    • MDL： MFCD00006550
    • Inchi： 1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
    • InChI Key： GUVUOGQBMYCBQP-UHFFFAOYSA-N
    • SMILES： O=C1N(C)CCCN1C
    • BRN： 0110562

Computed Properties

  • Exact Mass: 128.09500
  • Monoisotopic Mass: 128.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 112
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 23.6
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.1

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1.06?g/mL?at 25?°C(lit.)
  • Melting Point: -20 oC
  • Boiling Point: 146?°C/44?mmHg(lit.)
  • Flash Point: Fahrenheit: 248 ° f
    Celsius: 120 ° c
  • Refractive Index: n20/D 1.488(lit.)
    n20/D 1.489
  • PH: 11 (100g/l, H2O, 20℃)
  • Water Partition Coefficient: dissolution
  • PSA: 23.55000
  • LogP: 0.24950
  • Solubility: Soluble in most organic solvents
  • Sensitiveness: Hygroscopic

1,3-dimethyl-1,3-diazinan-2-one Security Information

  • Symbol: GHS05 GHS07 GHS08
  • Prompt：warning
  • Signal Word：Danger
  • Hazard Statement： H302,H318,H361
  • Warning Statement： P280,P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：2
  • Hazard Category Code： 22-41-43-62
  • Safety Instruction： S23-S26-S36/37/39-S45
  • FLUKA BRAND F CODES：3-10
  • RTECS：UW7582500
  • Hazardous Material Identification： Xn
  • Safety Term：S26;S36/37/39;S45
  • Risk Phrases：R22; R41; R62
  • TSCA：Yes
  • Explosive Limit：1.6-9.3%(V)
  • Storage Condition：Inert atmosphere,2-8°C

1,3-dimethyl-1,3-diazinan-2-one Customs Data

  • HS CODE：29335995
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,3-dimethyl-1,3-diazinan-2-one Pricemore >>

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1,3-dimethyl-1,3-diazinan-2-one Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:7226-23-5)N,N-二甲基丙烯基脲
Order Number:LE2471862
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:40
Price ($):discuss personally

1,3-dimethyl-1,3-diazinan-2-one Spectrogram

GC-MS
GC-MS
13C NMR
13C NMR
1H NMR 300 MHz DMSO
1H NMR

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Additional information on 1,3-dimethyl-1,3-diazinan-2-one

Introduction to 1,3-dimethyl-1,3-diazinan-2-one (CAS No. 7226-23-5)

1,3-dimethyl-1,3-diazinan-2-one, identified by its Chemical Abstracts Service (CAS) number 7226-23-5, is a significant heterocyclic compound that has garnered considerable attention in the field of organic chemistry and pharmaceutical research. This compound belongs to the diazine family, specifically a derivative of dioxane with nitrogen atoms incorporated into its ring structure. The presence of two methyl groups at the 1 and 3 positions enhances its reactivity and makes it a valuable intermediate in synthetic chemistry.

The molecular structure of 1,3-dimethyl-1,3-diazinan-2-one consists of a six-membered ring containing two nitrogen atoms and two oxygen atoms, with methyl substituents at the 1 and 3 positions. This configuration imparts unique electronic and steric properties to the molecule, making it a versatile building block for more complex chemical syntheses. The compound’s stability under various reaction conditions further underscores its utility in industrial and laboratory applications.

In recent years, 1,3-dimethyl-1,3-diazinan-2-one has been extensively studied for its potential applications in pharmaceuticals. Researchers have explored its role as a precursor in the synthesis of bioactive molecules, including potential drug candidates for treating neurological disorders. The compound’s ability to undergo nucleophilic substitution reactions makes it particularly useful in constructing complex heterocyclic frameworks, which are often found in medicinal chemistry.

One of the most intriguing aspects of 1,3-dimethyl-1,3-diazinan-2-one is its reactivity with transition metals. Studies have demonstrated that this compound can act as a ligand in catalytic systems, facilitating various organic transformations such as cross-coupling reactions and hydrogenations. These catalytic applications highlight the compound’s importance in modern synthetic methodologies.

The pharmaceutical industry has also shown interest in 1,3-dimethyl-1,3-diazinan-2-one due to its structural similarity to natural products known for their biological activity. For instance, derivatives of this compound have been investigated for their potential as kinase inhibitors, which are crucial in targeting cancer and inflammatory diseases. The synthesis of such derivatives often involves strategic modifications to the core diazinanone scaffold to enhance binding affinity and selectivity.

Recent advancements in computational chemistry have further illuminated the mechanistic pathways involving 1,3-dimethyl-1,3-diazinan-2-one. Molecular modeling studies have provided insights into how this compound interacts with biological targets at the atomic level. These computational approaches are complemented by experimental work, which has validated many of these theoretical predictions. The integration of computational and experimental techniques has significantly accelerated the discovery process for new drug candidates derived from this scaffold.

Another area where 1,3-dimethyl-1,3-diazinan-2-one has made notable contributions is in materials science. Researchers have explored its use in developing advanced polymers and coatings due to its ability to form stable cross-linked networks. These materials exhibit enhanced thermal stability and mechanical strength, making them suitable for high-performance applications in industries such as aerospace and electronics.

The environmental impact of using 1,3-dimethyl-1,3-diazinan-2-one has also been a focus of recent research. Studies have examined its degradation pathways under various environmental conditions to assess its potential ecological footprint. Efforts have been made to develop greener synthetic routes that minimize waste and reduce hazardous byproducts. Such sustainability initiatives are essential for ensuring that chemical processes remain viable long-term without compromising environmental safety.

In conclusion,1,3-dimethyl-1,3-diazinan-2-one (CAS No. 7226-23-5) is a multifaceted compound with broad applications across multiple scientific disciplines. Its role as a synthetic intermediate in pharmaceuticals and materials science underscores its importance in advancing both academic research and industrial innovation. As new methodologies emerge，this compound will undoubtedly continue to play a pivotal role in shaping the future of chemical science.

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Quantity:25KG,200KG,1000KG
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