4-methoxy-6-(pyridin-4-yl)pyrimidine

• ChemBase ID: 796531
• Molecular Formular: C10H9N3O
• Molecular Mass: 187.19796
• Monoisotopic Mass: 187.07456192
• SMILES: c1c(ncnc1c1ccncc1)OC
• Canonical SMILES: COc1ncnc(c1)c1ccncc1
• InChI: InChI=1S/C10H9N3O/c1-14-10-6-9(12-7-13-10)8-2-4-11-5-3-8/h2-7H,1H3
• InChIKey: SGVXNRZIBVZODB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-(pyridin-4-yl)pyrimidine
• IUPAC Traditional name: 4-methoxy-6-(pyridin-4-yl)pyrimidine
• Synonyms: 4-Methoxy-6-(pyridin-4-yl)pyriMidine

Database IDs

• CAS Number: 53345-66-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2893319
• LogD (pH = 7.4): 1.3017637
• Log P: 1.301925
• Molar Refractivity: 52.1063 cm^3
• Polarizability: 21.118404 Å^3
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%