2,7-dimethylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 114276
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n12c(nc(c1N)C)cc(cc2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2N)C
• InChI: InChI=1S/C9H11N3/c1-6-3-4-12-8(5-6)11-7(2)9(12)10/h3-5H,10H2,1-2H3
• InChIKey: SVXONZREKJLJLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2,7-dimethylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 2,7-dimethylimidazo[1,2-{a}]pyridin-3-amine

Database IDs

• MDL Number: MFCD14540296
• PubChem SID: 162099316
• PubChem CID: 45496225

CALCULATED PROPERTIES

• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8094405
• LogD (pH = 7.4): 0.14310528
• Log P: 0.66470605
• Molar Refractivity: 49.5228 cm^3
• Polarizability: 17.94559 Å^3

PROPERTIES

Physical Property

• Partition Coefficient: 0.788

Product Information

• Purity: 95+%