2-Morpholinopyrimidine-4，6-diol - ≥95% , CAS No.24193-00-8

CAS: 24193-00-8 Cat. No.: M709320 Fórmula: C₈H₁₁N₃O₃ Peso molecular: 197.2 PubChem CID: 4729015

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C1COCCN1C2=NC(=CC(=O)N2)O
• IUPAC Name: 4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one
• InChIKey: XCHQPQVLYGBMFD-UHFFFAOYSA-N
• INCHI: 1S/C8H11N3O3/c12-6-5-7(13)10-8(9-6)11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)
• SMILES isoméricas: C1COCCN1C2=NC(=CC(=O)N2)O
• PubChem CID: 4729015
• Peso molecular: 197.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Pyrimidones Hydroxypyrimidines Aminopyrimidines and derivatives Morpholines Hydropyrimidines Vinylogous acids Heteroaromatic compounds Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyrimidine - Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Morpholine - Oxazinane - Pyrimidine - Heteroaromatic compound - Vinylogous acid - Lactam - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

Propriedades químicas e físicas

• Peso molecular: 197.190 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.08 Da
• Monoisotopic Mass: 197.08 Da
• Topological Polar Surface Area: 74.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 305.000
• 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