6-methyl-2-(pyridin-4-yl)pyrimidin-4-ol

• ChemBase ID: 798844
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: c1c(nc(nc1C)c1ccncc1)O
• Canonical SMILES: Cc1cc(O)nc(n1)c1ccncc1
• InChI: InChI=1S/C10H9N3O/c1-7-6-9(14)13-10(12-7)8-2-4-11-5-3-8/h2-6H,1H3,(H,12,13,14)
• InChIKey: UFMQZZRBKSOEKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(pyridin-4-yl)pyrimidin-4-ol
• IUPAC Traditional name: 6-methyl-2-(pyridin-4-yl)pyrimidin-4-ol
• Synonyms: 6-methyl-2-pyridin-4-yl-pyrimidin-4-ol

Database IDs

• CAS Number: 59341-68-3

CALCULATED PROPERTIES

• Acid pKa: 12.580759
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7098459
• LogD (pH = 7.4): 1.7119182
• Log P: 1.7119476
• Molar Refractivity: 62.8624 cm^3
• Polarizability: 20.286318 Å^3
• Polar Surface Area: 58.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%