2-{imidazo[1,2-a]pyrimidin-6-yl}pyridine

• ChemBase ID: 88652
• Molecular Formular: C11H8N4
• Molecular Mass: 196.20802
• Monoisotopic Mass: 196.07489628
• SMILES: n1cc(cn2c1ncc2)c1ccccn1
• Canonical SMILES: c1ccc(nc1)c1cnc2n(c1)ccn2
• InChI: InChI=1S/C11H8N4/c1-2-4-12-10(3-1)9-7-14-11-13-5-6-15(11)8-9/h1-8H
• InChIKey: ZSMBNIJMCBUHON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyrimidin-6-yl}pyridine
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyrimidin-6-yl}pyridine
• Synonyms: 2-(Imidazo[1,2-a]pyrimidin-6-yl)pyridine; 6-(Pyridin-2-yl)imidazo[1,2-a]pyrimidine

Database IDs

• CAS Number: 1027511-31-4
• PubChem SID: 162075573
• PubChem CID: 45073320

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6096041
• LogD (pH = 7.4): 0.6225311
• Log P: 0.6226982
• Molar Refractivity: 57.3969 cm^3
• Polarizability: 22.481585 Å^3
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant