5-methylpyrimidin-2-ol

• ChemBase ID: 309747
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(ncc(cn1)C)O
• Canonical SMILES: Cc1cnc(nc1)O
• InChI: InChI=1S/C5H6N2O/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
• InChIKey: UAQOYBJXXMLVQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyrimidin-2-ol
• IUPAC Traditional name: 5-methylpyrimidin-2-ol
• Synonyms: 5-methyl-2-pyrimidinol

Database IDs

• CAS Number: 41398-85-0
• MDL Number: MFCD09991915

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.93837744
• LogD (pH = 7.4): 0.93837744
• Log P: 0.93837756
• Molar Refractivity: 29.6904 cm^3
• Polarizability: 10.936889 Å^3
• Polar Surface Area: 46.01 Å^2