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

• ChemBase ID: 308869
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: n1c(cc(nc1C)CN)O
• Canonical SMILES: NCc1cc(O)nc(n1)C
• InChI: InChI=1S/C6H9N3O/c1-4-8-5(3-7)2-6(10)9-4/h2H,3,7H2,1H3,(H,8,9,10)
• InChIKey: HCGRHCRDJSCKKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 933708-20-4
• MDL Number: MFCD11054027

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2697456
• LogD (pH = 7.4): -0.54068744
• Log P: 0.19288197
• Molar Refractivity: 37.5923 cm^3
• Polarizability: 14.289209 Å^3
• Polar Surface Area: 72.03 Å^2