2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine

• ChemBase ID: 267506
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n12c(nc(c1)C)CCC(C2)N
• Canonical SMILES: NC1CCc2n(C1)cc(n2)C
• InChI: InChI=1S/C8H13N3/c1-6-4-11-5-7(9)2-3-8(11)10-6/h4,7H,2-3,5,9H2,1H3
• InChIKey: FRZORHXWYZCJLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine
• IUPAC Traditional name: 2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine
• Synonyms: 2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine

Database IDs

• MDL Number: MFCD11655119
• PubChem SID: 164323416
• PubChem CID: 43370280

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.439029
• LogD (pH = 7.4): -2.7466755
• Log P: -0.17732702
• Molar Refractivity: 43.457 cm^3
• Polarizability: 16.9101 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): -0.283

Product Information

• Purity: 95%