3-bromo-7-methylimidazo[1,2-a]pyrimidine

• ChemBase ID: 294378
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: Cc1nc2ncc(Br)n2cc1
• Canonical SMILES: Cc1ccn2c(n1)ncc2Br
• InChI: InChI=1S/C7H6BrN3/c1-5-2-3-11-6(8)4-9-7(11)10-5/h2-4H,1H3
• InChIKey: JBZXFEPGAAWNRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-7-methylimidazo[1,2-a]pyrimidine
• IUPAC Traditional name: 3-bromo-7-methylimidazo[1,2-a]pyrimidine
• Synonyms: 3-Bromo-7-methylimidazo[1,2-a]pyrimidine

Database IDs

• CAS Number: 375857-62-8
• MDL Number: MFCD08234998
• PubChem SID: 180679909
• PubChem CID: 11401583

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.40734142
• LogD (pH = 7.4): 0.40776774
• Log P: 0.4077732
• Molar Refractivity: 46.7859 cm^3
• Polarizability: 17.115002 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%