(5-methylpyrimidin-2-yl)methanol

• ChemBase ID: 803764
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: C(O)c1ncc(cn1)C
• Canonical SMILES: OCc1ncc(cn1)C
• InChI: InChI=1S/C6H8N2O/c1-5-2-7-6(4-9)8-3-5/h2-3,9H,4H2,1H3
• InChIKey: LZCRIKBXCJASPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylpyrimidin-2-yl)methanol
• IUPAC Traditional name: (5-methylpyrimidin-2-yl)methanol
• Synonyms: (5-METHYLPYRIMIDIN-2-YL)METHANOL

Database IDs

• CAS Number: 90905-61-6

CALCULATED PROPERTIES

• Acid pKa: 13.587245
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2520637
• LogD (pH = 7.4): 0.2520802
• Log P: 0.2520807
• Molar Refractivity: 34.0901 cm^3
• Polarizability: 12.773022 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%