5-bromo-2,4-dimethylpyrimidine

• ChemBase ID: 801151
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(nc(nc1)C)C)Br
• Canonical SMILES: Cc1ncc(c(n1)C)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-6(7)3-8-5(2)9-4/h3H,1-2H3
• InChIKey: UITPCPFEEVHRRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,4-dimethylpyrimidine
• IUPAC Traditional name: 5-bromo-2,4-dimethylpyrimidine
• Synonyms: 5-BROMO-2,4-DIMETHYL-PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5264871
• LogD (pH = 7.4): 1.5271873
• Log P: 1.5271963
• Molar Refractivity: 39.561 cm^3
• Polarizability: 14.963454 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%