(2-aminopyrimidin-5-yl)methanol

• ChemBase ID: 293064
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: OCc1cnc(N)nc1
• Canonical SMILES: OCc1cnc(nc1)N
• InChI: InChI=1S/C5H7N3O/c6-5-7-1-4(3-9)2-8-5/h1-2,9H,3H2,(H2,6,7,8)
• InChIKey: NUGGQZDIPXLGQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminopyrimidin-5-yl)methanol
• IUPAC Traditional name: (2-aminopyrimidin-5-yl)methanol
• Synonyms: (2-Aminopyrimidin-5-yl)methanol

Database IDs

• CAS Number: 120747-85-5
• MDL Number: MFCD09991890
• PubChem SID: 180678595
• PubChem CID: 21615172

CALCULATED PROPERTIES

• Acid pKa: 14.54211
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8695943
• LogD (pH = 7.4): -0.86777747
• Log P: -0.8677542
• Molar Refractivity: 34.1846 cm^3
• Polarizability: 12.173082 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%