(2-methylpyrimidin-5-yl)methanol

• ChemBase ID: 78209
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(ncc(c1)CO)C
• Canonical SMILES: OCc1cnc(nc1)C
• InChI: InChI=1S/C6H8N2O/c1-5-7-2-6(4-9)3-8-5/h2-3,9H,4H2,1H3
• InChIKey: HOBMGFDJYBEWLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpyrimidin-5-yl)methanol
• IUPAC Traditional name: (2-methylpyrimidin-5-yl)methanol
• Synonyms: (2-Methylpyrimidin-5-yl)methanol; 5-(Hydroxymethyl)-2-methylpyrimidine; 2-METHYL-5-PYRIMIDINEMETHANOL

Database IDs

• CAS Number: 2239-83-0
• MDL Number: MFCD09414732
• PubChem SID: 162104404
• PubChem CID: 14686706

CALCULATED PROPERTIES

• Acid pKa: 14.4324665
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.20631637
• LogD (pH = 7.4): -0.20611152
• Log P: -0.20610887
• Molar Refractivity: 34.1626 cm^3
• Polarizability: 12.770609 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 98%