2,8-dimethylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 114275
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n12c(nc(c1N)C)c(ccc2)C
• Canonical SMILES: Nc1c(C)nc2n1cccc2C
• InChI: InChI=1S/C9H11N3/c1-6-4-3-5-12-8(10)7(2)11-9(6)12/h3-5H,10H2,1-2H3
• InChIKey: PQYHNIRIIDGFAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dimethylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2,8-dimethylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 2,8-dimethylimidazo[1,2-{a}]pyridin-3-amine

Database IDs

• MDL Number: MFCD14540266
• PubChem SID: 162100655
• PubChem CID: 45496224

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.83602625
• LogD (pH = 7.4): -0.019847205
• Log P: 0.66470605
• Molar Refractivity: 49.5228 cm^3
• Polarizability: 17.945211 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.788

Product Information

• Purity: 95+%