5-bromo-4-methoxy-6-methylpyrimidine

• ChemBase ID: 310074
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: c1(c(ncnc1C)OC)Br
• Canonical SMILES: COc1ncnc(c1Br)C
• InChI: InChI=1S/C6H7BrN2O/c1-4-5(7)6(10-2)9-3-8-4/h3H,1-2H3
• InChIKey: YDPPNMNAHGZFDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-methoxy-6-methylpyrimidine
• IUPAC Traditional name: 5-bromo-4-methoxy-6-methylpyrimidine
• Synonyms: 5-bromo-4-methoxy-6-methylpyrimidine

Database IDs

• CAS Number: 4319-87-3
• MDL Number: MFCD19382397

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.385068
• LogD (pH = 7.4): 1.3866246
• Log P: 1.3866445
• Molar Refractivity: 41.7133 cm^3
• Polarizability: 15.80928 Å^3
• Polar Surface Area: 35.01 Å^2