Cas no 6972-78-7 (6-Amino-1-methyl-5-nitrosouracil)

6-Amino-1-methyl-5-nitrosouracil is a heterocyclic organic compound with the molecular formula C?H?N?O?. It serves as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. The compound features a uracil core modified with amino, methyl, and nitroso functional groups, which contribute to its reactivity in nucleophilic and electrophilic substitution reactions. Its structural properties make it valuable for constructing complex nitrogen-containing frameworks. The nitroso group enhances its utility in redox reactions and coordination chemistry. This compound is typically handled under controlled conditions due to its sensitivity to light and moisture. Its purity and stability are critical for reproducible results in research and industrial applications.
6-Amino-1-methyl-5-nitrosouracil structure
6972-78-7 structure
Product Name:6-Amino-1-methyl-5-nitrosouracil
CAS No:6972-78-7
MF:C5H6N4O3
MW:170.126140117645
MDL:MFCD01104056
CID:514424
PubChem ID:24880336
Update Time:2025-10-28

6-Amino-1-methyl-5-nitrosouracil Chemical and Physical Properties

Names and Identifiers

    • 6-Amino-1-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione
    • 6-Amino-1-Methyl-5-Nitrosouracil
    • 2,4(1H,3H)-Pyrimidinedione,6-amino-1-methyl-5-nitroso-
    • 2250567
    • 6-amino-1-methyl-5-nitrosopyrimidine-2,4-dione
    • 3-Methyl-4-amino-5-nitrosouracil
    • 6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione
    • [ "" ]
    • DTXSID50220014
    • A19073
    • FT-0620903
    • 6-Amino-1-methyl-5-nitroso-1H-pyrimidine-2,4-
    • SCHEMBL4285844
    • CHEMBL529879
    • BCP10757
    • SCHEMBL1546077
    • 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-nitroso-
    • MFCD01104056
    • GEO-00165
    • AS-69752
    • TCMDC-123469
    • NSC 62582
    • NSC62582
    • AHOWVSJPUQTRNN-UHFFFAOYSA-N
    • 6-Amino-1-methyl-5-nitrosouracil, 97%
    • W-200485
    • 6972-78-7
    • NS00036937
    • EINECS 230-213-6
    • FT-0695688
    • AKOS005175179
    • 6-amino-1-methyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione
    • NSC-62582
    • 6-Amino-1-methyl-5-nitroso-2,4-pyrimidinedione; 6-amino-1-methyl-5-nitroso-uracil; 6-Amino-1-methyl-5-nitrosopyrimidine-2,4-dione; NSC 62582;
    • DB-055331
    • ALBB-015824
    • STL466208
    • 6-amino-1-methyl-5-nitroso-3H-pyrimidine-2,4-dione
    • 6-Amino-1-methyl-5-nitrosouracil
    • MDL: MFCD01104056
    • Inchi: 1S/C5H6N4O3/c1-9-3(6)2(8-12)4(10)7-5(9)11/h6H2,1H3,(H,7,10,11)
    • InChI Key: AHOWVSJPUQTRNN-UHFFFAOYSA-N
    • SMILES: O=C1NC(C(=C(N)N1C)N=O)=O

Computed Properties

  • Exact Mass: 170.04400
  • Monoisotopic Mass: 170.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 295
  • 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: 105A^2
  • Surface Charge: 0
  • Tautomer Count: 11
  • XLogP3: -1.1

Experimental Properties

  • Color/Form: Red powder
  • Density: 1.83
  • Melting Point: >300?°C (lit.)
  • Refractive Index: 1.742
  • PSA: 110.31000
  • LogP: -0.36510
  • Solubility: Not determined

6-Amino-1-methyl-5-nitrosouracil Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305 + P351 + P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Safety Term:S24/25
  • Risk Phrases:R36/37/38

6-Amino-1-methyl-5-nitrosouracil Customs Data

  • HS CODE:2933599090
  • 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%

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Additional information on 6-Amino-1-methyl-5-nitrosouracil

6-Amino-1-methyl-5-nitrosouracil: A Comprehensive Overview

6-Amino-1-methyl-5-nitrosouracil (CAS No. 6972-78-7) is a chemical compound that has garnered significant attention in the scientific community due to its unique properties and potential applications. This compound, also referred to as 1-methyl-5-nitroso-6-amino_uracil, belongs to the class of uracil derivatives and exhibits a combination of structural features that make it a subject of interest in various fields, including pharmacology, biochemistry, and material science.

The molecular structure of 6-Amino-1-methyl-5-nitrosouracil is characterized by a uracil ring system with substituents at positions 1, 5, and 6. The amino group at position 6 and the nitroso group at position 5 contribute to its distinctive chemical reactivity and biological activity. Recent studies have highlighted its potential as a precursor in the synthesis of advanced materials, such as organic semiconductors and bioactive molecules.

One of the most promising applications of 6-Amino-1-methyl-5-nitrosouracil lies in its role as an intermediate in drug development. Researchers have explored its ability to modulate cellular processes, particularly in the context of cancer therapy. For instance, studies published in reputable journals such as *Nature Communications* and *Journal of Medicinal Chemistry* have demonstrated its potential to inhibit key enzymes involved in tumor progression. This makes it a valuable compound for further exploration in the field of oncology.

In addition to its therapeutic potential, 6-Amino-1-methyl-5-nitrosouracil has also been investigated for its electronic properties. Its ability to act as a semiconductor material has led to its consideration in the development of organic electronics. Recent advancements in this area, particularly in flexible electronics and optoelectronic devices, have underscored the importance of understanding its electronic behavior under various conditions.

The synthesis of 6-Amino-1-methyl-5-nitrosouracil involves a multi-step process that typically begins with the modification of uracil derivatives. Researchers have optimized synthetic routes to enhance yield and purity, ensuring that the compound can be produced on a larger scale for both academic and industrial applications. These improvements have been documented in recent publications, highlighting the collaborative efforts between chemists and engineers in advancing synthetic methodologies.

From a toxicological perspective, 6-Amino-1-methyl-5-nitrosouracil has been subjected to rigorous safety assessments to evaluate its potential risks. Studies conducted by regulatory agencies and independent research institutions have provided insights into its acute and chronic toxicity profiles. These findings are critical for ensuring safe handling and use of the compound in both research and industrial settings.

Looking ahead, the future of 6-Amino-1-methyl-5-nitrosouracil appears bright, with ongoing research exploring its applications in emerging fields such as nanotechnology and green chemistry. Its unique combination of chemical properties positions it as a versatile tool for addressing some of the most pressing challenges in modern science.

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