2-methoxy-6-methylpyrimidin-4-ol

• ChemBase ID: 798833
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: c1c(nc(nc1C)OC)O
• Canonical SMILES: COc1nc(C)cc(n1)O
• InChI: InChI=1S/C6H8N2O2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)
• InChIKey: CRYUGFDHGVCIJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-methoxy-6-methylpyrimidin-4-ol
• Synonyms: 2-methoxy-6-methylpyrimidin-4-ol

Database IDs

• CAS Number: 55996-28-6

CALCULATED PROPERTIES

• Acid pKa: 12.167407
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9930862
• LogD (pH = 7.4): 0.99310493
• Log P: 0.99311256
• Molar Refractivity: 36.0174 cm^3
• Polarizability: 13.488977 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%