6-(aminomethyl)pyrimidin-4-ol

• ChemBase ID: 308868
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: n1c(cc(nc1)CN)O
• Canonical SMILES: NCc1cc(O)ncn1
• InChI: InChI=1S/C5H7N3O/c6-2-4-1-5(9)8-3-7-4/h1,3H,2,6H2,(H,7,8,9)
• InChIKey: VYOICLJSGPUPPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)pyrimidin-4-ol
• IUPAC Traditional name: 6-(aminomethyl)pyrimidin-4-ol
• Synonyms: 6-(aminomethyl)-4-pyrimidinol

Database IDs

• CAS Number: 933756-94-6
• MDL Number: MFCD11054026

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8404522
• LogD (pH = 7.4): -1.1466993
• Log P: -0.45213202
• Molar Refractivity: 32.9679 cm^3
• Polarizability: 12.530499 Å^3
• Polar Surface Area: 72.03 Å^2