(2-methylpyrimidin-4-yl)methanol

• ChemBase ID: 238193
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(nccc1CO)C
• Canonical SMILES: OCc1ccnc(n1)C
• InChI: InChI=1S/C6H8N2O/c1-5-7-3-2-6(4-9)8-5/h2-3,9H,4H2,1H3
• InChIKey: WZAMGKJWSAIQMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpyrimidin-4-yl)methanol
• IUPAC Traditional name: (2-methylpyrimidin-4-yl)methanol
• Synonyms: (2-methylpyrimidin-4-yl)methanol; (2-methyl-4-pyrimidinyl)methanol

Database IDs

• CAS Number: 1131605-06-5
• MDL Number: MFCD11865227
• PubChem SID: 164294103
• PubChem CID: 21557330

CALCULATED PROPERTIES

• Acid pKa: 14.112102
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.047317922
• LogD (pH = 7.4): -0.047002465
• Log P: -0.046998356
• Molar Refractivity: 33.6404 cm^3
• Polarizability: 12.771329 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.851

Product Information

• Purity: 95%