2-amino-5-phenylpyrimidine-4,6-diol

• ChemBase ID: 310614
• Molecular Formular: C10H9N3O2
• Molecular Mass: 203.19736
• Monoisotopic Mass: 203.06947654
• SMILES: n1c(c(c(nc1N)O)c1ccccc1)O
• Canonical SMILES: Nc1nc(O)c(c(n1)O)c1ccccc1
• InChI: InChI=1S/C10H9N3O2/c11-10-12-8(14)7(9(15)13-10)6-4-2-1-3-5-6/h1-5H,(H4,11,12,13,14,15)
• InChIKey: HPPMTXLIFATOQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-phenylpyrimidine-4,6-diol
• IUPAC Traditional name: 2-amino-5-phenylpyrimidine-4,6-diol
• Synonyms: 2-amino-5-phenyl-4,6-pyrimidinediol

Database IDs

• CAS Number: 154146-07-3
• MDL Number: MFCD00748802

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.128601
• LogD (pH = 7.4): 2.1285954
• Log P: 2.1286054
• Molar Refractivity: 57.0937 cm^3
• Polarizability: 21.8392 Å^3
• Polar Surface Area: 92.26 Å^2