4-chloro-6-methoxy-2-methylpyrimidine

• ChemBase ID: 287797
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: Cc1nc(OC)cc(Cl)n1
• Canonical SMILES: COc1cc(Cl)nc(n1)C
• InChI: InChI=1S/C6H7ClN2O/c1-4-8-5(7)3-6(9-4)10-2/h3H,1-2H3
• InChIKey: GHMCOGKFWUYJTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methoxy-2-methylpyrimidine
• IUPAC Traditional name: 4-chloro-6-methoxy-2-methylpyrimidine
• Synonyms: 4-Chloro-6-methoxy-2-methylpyrimidine

Database IDs

• CAS Number: 89466-39-7
• MDL Number: MFCD16768933
• PubChem SID: 180673328
• PubChem CID: 20713451

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.842495
• LogD (pH = 7.4): 1.8426002
• Log P: 1.8426015
• Molar Refractivity: 39.9895 cm^3
• Polarizability: 14.827374 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%