4-bromo-2,6-dimethoxypyrimidine

• ChemBase ID: 796462
• Molecular Formular: C6H7BrN2O2
• Molecular Mass: 219.03598
• Monoisotopic Mass: 217.96908947
• SMILES: c1c(nc(nc1OC)OC)Br
• Canonical SMILES: COc1cc(Br)nc(n1)OC
• InChI: InChI=1S/C6H7BrN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
• InChIKey: BFHOSMVQVHFCSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,6-dimethoxypyrimidine
• IUPAC Traditional name: 4-bromo-2,6-dimethoxypyrimidine
• Synonyms: 4-BroMo-2,6-diMethoxypyriMidine

Database IDs

• CAS Number: 60186-89-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9819106
• LogD (pH = 7.4): 1.9819111
• Log P: 1.9819111
• Molar Refractivity: 44.3732 cm^3
• Polarizability: 16.695694 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%