7-methylimidazo[1,2-a]pyrimidine

• ChemBase ID: 78900
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n1c(ccn2c1ncc2)C
• Canonical SMILES: Cc1ccn2c(n1)ncc2
• InChI: InChI=1S/C7H7N3/c1-6-2-4-10-5-3-8-7(10)9-6/h2-5H,1H3
• InChIKey: JFIBBUISWVLPJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6558-66-3
• MDL Number: MFCD08234996
• PubChem SID: 162043663
• PubChem CID: 11332492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.06699682
• LogD (pH = 7.4): -0.061406787
• Log P: -0.06133493
• Molar Refractivity: 39.3811 cm^3
• Polarizability: 14.169161 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true