5-Methylaminouracil - ≥97% , CAS No.7577-92-6

CAS: 7577-92-6 Cat. No.: M590097 Fórmula: C₅H₇N₃O₂ Peso molecular: 141.13

GRADE & PURITY ≥97%

Synonyms

5-(methylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione | DTXSID50292256 | MFCD00619251 | 5-(methylamino)pyrimidine-2,4(1h,3h)-dione | NSC81178 | NSC-81178 | 5-Methylaminouracil | NSC 81178 | SCHEMBL11879018 | 5-(methylamino)-1H-pyrimidine-2,4-dione | AKOS

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

5-(methylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione | DTXSID50292256 | MFCD00619251 | 5-(methylamino)pyrimidine-2,4(1h,3h)-dione | NSC81178 | NSC-81178 | 5-Methylaminouracil | NSC 81178 | SCHEMBL11879018 | 5-(methylamino)-1H-pyrimidine-2,4-dione | AKOS

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528761942

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528761942

Sonrisas canónicas

CNC1=CNC(=O)NC1=O

IUPAC Name

5-(methylamino)-1H-pyrimidine-2,4-dione

InChIKey

DYRPKHXNULRIQL-UHFFFAOYSA-N

INCHI

1S/C5H7N3O2/c1-6-3-2-7-5(10)8-4(3)9/h2,6H,1H3,(H2,7,8,9,10)

Isómeros SMILES

CNC1=CNC(=O)NC1=O

Número NSC

NSC Number': ['81178

Peso molecular

141.13

Reaxy-Rn

4632

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4632&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Secondary alkylarylamines Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Secondary amine - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 141.130 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.054 Da
• Monoisotopic Mass: 141.054 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 209.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1