1,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-amine

• ChemBase ID: 74097
• Molecular Formular: C8H10N4
• Molecular Mass: 162.1918
• Monoisotopic Mass: 162.09054634
• SMILES: n1c(n(c2cc(cnc12)C)C)N
• Canonical SMILES: Cc1cnc2c(c1)n(C)c(n2)N
• InChI: InChI=1S/C8H10N4/c1-5-3-6-7(10-4-5)11-8(9)12(6)2/h3-4H,1-2H3,(H2,9,10,11)
• InChIKey: NEOGGGHDLGYATP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dimethyl-1H-imidazo[4,5-b]pyridin-2-amine
• IUPAC Traditional name: 1,6-dimethylimidazo[4,5-b]pyridin-2-amine
• Synonyms: 1,6-Dimethyl-1H-imidazo[4,5-b]pyridin-2-amine; DMIP; 2-Amino-1,6-dimethylimidazo[4,5-b]pyridine; 2-Amino-1,6-dimethylimidazo[4,5-B]pyridine [DMIP]

Database IDs

• CAS Number: 132898-04-5
• MDL Number: MFCD00269879
• PubChem SID: 162039016
• PubChem CID: 179898

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5238236
• LogD (pH = 7.4): 0.949202
• Log P: 0.9592576
• Molar Refractivity: 48.496 cm^3
• Polarizability: 17.747686 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White to Pale Yellow Solid
• Melting Point: >265°C (dec.)

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - OR0518T

A mutagenic cogener of PHIP .

Toronto Research Chemicals - A605180

A mutagenic cogener of PHIP.

REFERENCES

• Knize, M.G., Felton, J.S., et al.: Carcinogenesis, 9, 2, 247 (1988)
• Sugimura, T., et al.: Mutation Research, 290, 43 (1988)
• Eisenbrand & Tang: Toxicology, 84, 1 (1993)