2,4-diamino-6-hydroxypyrimidine-5-carboxamide

• ChemBase ID: 253557
• Molecular Formular: C5H7N5O2
• Molecular Mass: 169.14138
• Monoisotopic Mass: 169.05997449
• SMILES: n1c(c(c(nc1N)O)C(=O)N)N
• Canonical SMILES: Nc1nc(N)c(c(n1)O)C(=O)N
• InChI: InChI=1S/C5H7N5O2/c6-2-1(3(7)11)4(12)10-5(8)9-2/h(H2,7,11)(H5,6,8,9,10,12)
• InChIKey: BKENMMXTLLQETO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diamino-6-hydroxypyrimidine-5-carboxamide
• IUPAC Traditional name: 2,4-diamino-6-hydroxypyrimidine-5-carboxamide
• Synonyms: 2,4-diamino-6-hydroxypyrimidine-5-carboxamide

Database IDs

• MDL Number: MFCD09040581
• PubChem SID: 164309467
• PubChem CID: 16227897

CALCULATED PROPERTIES

• Acid pKa: 11.430676
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): 0.106167704
• LogD (pH = 7.4): 0.10661553
• Log P: 0.106659606
• Molar Refractivity: 43.7554 cm^3
• Polarizability: 14.469202 Å^3
• Polar Surface Area: 141.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.66

Product Information

• Purity: 95%