4-chloro-5-methoxy-2,6-dimethylpyrimidine

• ChemBase ID: 292760
• Molecular Formular: C7H9ClN2O
• Molecular Mass: 172.61216
• Monoisotopic Mass: 172.0403406
• SMILES: COc1c(Cl)nc(C)nc1C
• Canonical SMILES: COc1c(C)nc(nc1Cl)C
• InChI: InChI=1S/C7H9ClN2O/c1-4-6(11-3)7(8)10-5(2)9-4/h1-3H3
• InChIKey: FSUFZLUXHNPYLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-methoxy-2,6-dimethylpyrimidine
• IUPAC Traditional name: 4-chloro-5-methoxy-2,6-dimethylpyrimidine
• Synonyms: 4-Chloro-5-methoxy-2,6-dimethylpyrimidine

Database IDs

• CAS Number: 1286784-01-7
• PubChem SID: 180678291
• PubChem CID: 70700984

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.41536
• LogD (pH = 7.4): 1.4169343
• Log P: 1.4169543
• Molar Refractivity: 44.2675 cm^3
• Polarizability: 16.595102 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%