4-aminopyrimidine-5-carboxamide

• ChemBase ID: 308460
• Molecular Formular: C5H6N4O
• Molecular Mass: 138.12734
• Monoisotopic Mass: 138.05416083
• SMILES: c1(c(ncnc1)N)C(=O)N
• Canonical SMILES: NC(=O)c1cncnc1N
• InChI: InChI=1S/C5H6N4O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H,(H2,7,10)(H2,6,8,9)
• InChIKey: LHRPKQMNCPCVQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminopyrimidine-5-carboxamide
• IUPAC Traditional name: 4-aminopyrimidine-5-carboxamide
• Synonyms: 4-amino-5-pyrimidinecarboxamide

Database IDs

• CAS Number: 4786-51-0
• MDL Number: MFCD00193995

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7056005
• LogD (pH = 7.4): -0.684369
• Log P: -0.6840927
• Molar Refractivity: 36.8146 cm^3
• Polarizability: 12.603403 Å^3
• Polar Surface Area: 94.89 Å^2