2-(aminomethyl)-6-methylpyrimidin-4-ol

• ChemBase ID: 307235
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: n1c(cc(nc1CN)C)O
• Canonical SMILES: NCc1nc(C)cc(n1)O
• InChI: InChI=1S/C6H9N3O/c1-4-2-6(10)9-5(3-7)8-4/h2H,3,7H2,1H3,(H,8,9,10)
• InChIKey: NQUHWZJWGWWYGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-(aminomethyl)-6-methylpyrimidin-4-ol
• Synonyms: 2-(aminomethyl)-6-methylpyrimidin-4-ol

Database IDs

• CAS Number: 5993-95-3
• MDL Number: MFCD09864311

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6916857
• LogD (pH = 7.4): -0.10788457
• Log P: 0.19288197
• Molar Refractivity: 37.5923 cm^3
• Polarizability: 14.288882 Å^3
• Polar Surface Area: 72.03 Å^2