Cas no 1852-17-1 (Tetrahydro-2(1H)-pyrimidinone)
Tetrahydro-2(1H)-pyrimidinone Chemical and Physical Properties
Names and Identifiers
-
- Tetrahydro-2(1H)-pyrimidinone
- N,N'-Trimethyleneurea
- 3,4,5,6-Tetrahydro-2(1H)-pyrimidinone
- Perhydropyrimidin-2-one
- Propyleneurea
- 1,3-diazinan-2-one
- TETRAHYDRO-2-PYRIMIDINONE
- 2(1H)-Pyrimidinone,tetrahydro
- 2-Ketohexahydropyrimidine
- 3,4,5,6-tetrahydro-1(2H)-pyrimidinone
- Hexahydropyrimidin-2-one
- N,N‘-Trimethyleneurea
- N,N’-Propyleneurea
- TETRAHYDRO-2-PYRIMIDONE
- tetrahydropyrimidinone
- -pyrimidinone
- Tetrahydro-2(1H)
- N,N'-PROPYLENEUREA
- Tetrahydro pyrimidone
- 1,3-(Trimethylene)urea
- N,N-Trimethyleneurea
- 2(1H)-Pyrimidinone, tetrahydro-
- Propylene urea
- tetrahydropyrimidin-2(1H)-one
- Pyrimidine, hexahydro-2-oxo-
- Hexahydro-2(1H)-pyrimidinone
- Urea, 1,3-trimethylene-
- Propyleneurea (VAN)
- Urea, N,N'-(1,3-propanediyl)-
- 2-Pyrimidinol, 3,4,
- 1,3-diaza-cyclohexan-2-one
- AKOS006222798
- SB55523
- MFCD00014593
- 3,4,5,6-tetrahydropyrimidin-2(1H)-one
- NS00007468
- AI3-50508
- W-107785
- 1852-17-1
- EC 217-443-2
- 2-Pyrimidinol, 3,4,5,6-tetrahydro-
- N,N'-Trimethyleneurea, >=98.0%
- SY051892
- Tetrahydro-2(1H)-pyrimidinone #
- UNII-V5992LV6AG
- 3,4,5,6-tetrahydro-2-(1H)-pyrimidinone
- Tetrahydro-pyrimidin-2-one
- Urea,3-trimethylene-
- SCHEMBL88886
- CHEMBL12593
- P0526
- 3,4,5,6-tetrahydro-2-(1H)-pyrimidone
- FT-0648303
- CS-W023025
- DTXSID9051820
- F14817
- 2(1H)-Tetrahydropyrimidinone
- Urea,N'-(1,3-propanediyl)-
- 2-Pyrimidinol,4,5,6-tetrahydro-
- 1,3-diaza-cyclohexane-2-one
- HR-0301
- NSC 21315
- EN300-80795
- EINECS 217-443-2
- 2-(1H)-Tetrahydropyrimidinone
- NSC21315
- AM90187
- A812933
- NSC-21315
- Z1203730774
- V5992LV6AG
- InChI=1/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7
- DB-065524
-
- MDL: MFCD00014593
- Inchi: 1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
- InChI Key: NQPJDJVGBDHCAD-UHFFFAOYSA-N
- SMILES: O=C1NCCCN1
Computed Properties
- Exact Mass: 100.06400
- Monoisotopic Mass: 100.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 73.8
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -1.3
- Topological Polar Surface Area: 41.1
Experimental Properties
- Color/Form: Not determined
- Melting Point: 263-267?°C (lit.)
264-267?°C - Boiling Point: 339°C at 760 mmHg
- Flash Point: Fahrenheit: 316.4 ° f < br / > Celsius: 158 ° C < br / >
- PSA: 41.13000
- LogP: 0.34690
- Solubility: Not determined
Tetrahydro-2(1H)-pyrimidinone Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H332-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: S22-S24/25
- RTECS:UW7539800
- Safety Term:S22;S24/25
- Storage Condition:Sealed in dry,Room Temperature
Tetrahydro-2(1H)-pyrimidinone Customs Data
- HS CODE:2933599090
- Customs Data:
China Customs Code:
2933599090Overview:
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%
Tetrahydro-2(1H)-pyrimidinone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM166422-1000g |
Perhydropyrimidin-2-one |
1852-17-1 | 98% | 1000g |
$256 | 2021-08-05 | |
| Fluorochem | 208604-1g |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | 95% | 1g |
£10.00 | 2022-02-28 | |
| Fluorochem | 208604-5g |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | 95% | 5g |
£22.00 | 2022-02-28 | |
| Fluorochem | 208604-25g |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | 95% | 25g |
£36.00 | 2022-02-28 | |
| Fluorochem | 208604-100g |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | 95% | 100g |
£130.00 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T162348-25G |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | >97.0%(T) | 25g |
¥247.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T162348-5g |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | >97.0%(T) | 5g |
¥78.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T162348-500G |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | >97.0%(T) | 500g |
¥2368.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T162348-10g |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | >97.0%(T) | 10g |
¥123.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T162348-100g |
Tetrahydro-2(1H)-pyrimidinone |
1852-17-1 | >97.0%(T) | 100g |
¥679.90 | 2023-08-31 |
Tetrahydro-2(1H)-pyrimidinone Suppliers
Tetrahydro-2(1H)-pyrimidinone Related Literature
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Qian Zhang,Jiangshan Chen,Yanxiang Cheng,Lixiang Wang,Dongge Ma,Xiabin Jing,Fosong Wang J. Mater. Chem. 2004 14 895
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Do-Kyoung Lee,Kwang-Soo Lim,Jin-Wook Lee,Nam-Gyu Park J. Mater. Chem. A 2021 9 3018
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Junqiao Ding,Qi Wang,Lei Zhao,Dongge Ma,Lixiang Wang,Xiabin Jing,Fosong Wang J. Mater. Chem. 2010 20 8126
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Guo-Gang Shan,Ling-Yu Zhang,Hai-Bin Li,Shuang Wang,Dong-Xia Zhu,Peng Li,Chun-Gang Wang,Zhong-Min Su,Yi Liao Dalton Trans. 2012 41 523
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Eiji Tayama,Kazutoshi Watanabe,Sho Sotome Org. Biomol. Chem. 2017 15 6668
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Diazines Pyrimidones
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Pyrimidones
- Solvents and Organic Chemicals Organic Compounds Acids/Esters
- Solvents and Organic Chemicals Organic Compounds Hydrocarbons
- Solvents and Organic Chemicals Organic Compounds
Additional information on Tetrahydro-2(1H)-pyrimidinone
Introduction to Tetrahydro-2(1H)-pyrimidinone (CAS No. 1852-17-1)
Tetrahydro-2(1H)-pyrimidinone, identified by its Chemical Abstracts Service (CAS) number 1852-17-1, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrimidinone class, a structural motif that is widely recognized for its biological activity and potential therapeutic applications. The unique scaffold of Tetrahydro-2(1H)-pyrimidinone consists of a six-membered ring containing a nitrogen atom, further functionalized by a hydroxyl group and a tetrahydropyran ring, which contributes to its distinctive chemical and pharmacological properties.
The structural features of Tetrahydro-2(1H)-pyrimidinone make it a versatile intermediate in the synthesis of various bioactive molecules. Its pyrimidinone core is a common pharmacophore in drug discovery, often found in compounds with antimicrobial, antiviral, and anticancer activities. The presence of the tetrahydropyran ring enhances the compound's solubility and bioavailability, making it an attractive candidate for further development into therapeutic agents.
Recent advancements in computational chemistry and molecular modeling have shed new light on the pharmacological potential of Tetrahydro-2(1H)-pyrimidinone. Studies have demonstrated that this compound can interact with multiple biological targets, including enzymes and receptors involved in critical cellular pathways. For instance, research has shown that derivatives of Tetrahydro-2(1H)-pyrimidinone exhibit inhibitory effects on kinases, which are key players in cancer progression. These findings have prompted further investigation into its role as a lead compound for the development of novel anticancer therapies.
In addition to its oncology applications, Tetrahydro-2(1H)-pyrimidinone has shown promise in the treatment of neurological disorders. Preliminary studies indicate that this compound can modulate neurotransmitter release and receptor activity, suggesting its potential use in managing conditions such as epilepsy and neurodegenerative diseases. The ability of Tetrahydro-2(1H)-pyrimidinone to cross the blood-brain barrier is particularly noteworthy, as it allows for direct interaction with central nervous system (CNS) targets.
The synthesis of Tetrahydro-2(1H)-pyrimidinone involves multi-step organic reactions that highlight its synthetic utility. One common synthetic route includes the cyclization of ethyl acetoacetate with urea or thiourea under acidic conditions, followed by reduction to yield the tetrahydropyran derivative. Alternative methods involve the use of transition metal catalysts to facilitate ring formation and functionalization. These synthetic strategies underscore the compound's accessibility and suitability for large-scale production.
Industrial applications of Tetrahydro-2(1H)-pyrimidinone are also emerging, particularly in agrochemicals and specialty chemicals. Its structural framework can be modified to create compounds with herbicidal and fungicidal properties, offering new solutions for crop protection. Furthermore, its role as a building block in fine chemical synthesis underscores its versatility beyond pharmaceuticals.
The safety profile of Tetrahydro-2(1H)-pyrimidinone is another critical aspect that has been extensively studied. Toxicological assessments have revealed that this compound exhibits low acute toxicity when administered orally or intraperitoneally in animal models. However, chronic exposure studies are still needed to fully understand its long-term effects. These findings are crucial for guiding its safe use in both laboratory and industrial settings.
Future research directions for Tetrahydro-2(1H)-pyrimidinone include exploring its mechanism of action in greater detail and identifying new derivatives with enhanced biological activity. Advances in high-throughput screening technologies will likely accelerate the discovery process, enabling rapid identification of promising candidates for clinical development. Collaborative efforts between academic institutions and pharmaceutical companies are essential to translate these findings into tangible therapeutic benefits.
In conclusion, Tetrahydro-2(1H)-pyrimidinone (CAS No. 1852-17-1) is a structurally intriguing compound with broad applications in pharmaceuticals, agrochemicals, and specialty chemicals. Its unique properties make it an attractive scaffold for drug discovery, particularly in oncology and neurology. As research continues to uncover new therapeutic potentials, this compound is poised to play a significant role in addressing some of today's most pressing medical challenges.
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