2-methylimidazo[1,2-a]pyrimidine

• ChemBase ID: 283995
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c12n(cc(n1)C)cccn2
• Canonical SMILES: Cc1cn2c(n1)nccc2
• InChI: InChI=1S/C7H7N3/c1-6-5-10-4-2-3-8-7(10)9-6/h2-5H,1H3
• InChIKey: RSRQBWXGHCRSPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20502043
• PubChem SID: 180669526
• PubChem CID: 12323629

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.06567725
• LogD (pH = 7.4): -0.061389882
• Log P: -0.06133493
• Molar Refractivity: 39.3811 cm^3
• Polarizability: 14.170748 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 0.566

Product Information

• Purity: 95%