N4-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-6-(morpholin-4-yl)pyrimidine-2,4-diamine

• ChemBase ID: 541684
• Molecular Formular: C17H21N7O
• Molecular Mass: 339.39494
• Monoisotopic Mass: 339.18075833
• SMILES: c12n(c(cn1)CNc1nc(nc(c1)N1CCOCC1)N)cccc2C
• Canonical SMILES: Nc1nc(NCc2cnc3n2cccc3C)cc(n1)N1CCOCC1
• InChI: InChI=1S/C17H21N7O/c1-12-3-2-4-24-13(11-20-16(12)24)10-19-14-9-15(22-17(18)21-14)23-5-7-25-8-6-23/h2-4,9,11H,5-8,10H2,1H3,(H3,18,19,21,22)
• InChIKey: PXPIWUVRPDIZJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-6-(morpholin-4-yl)pyrimidine-2,4-diamine
• IUPAC Traditional name: N4-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-6-(morpholin-4-yl)pyrimidine-2,4-diamine
• Synonyms: N~4~-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.024168
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -0.70144385
• LogD (pH = 7.4): 1.2266585
• Log P: 1.3950313
• Molar Refractivity: 101.1023 cm^3
• Polarizability: 35.452614 Å^3
• Polar Surface Area: 93.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.06
• LOG S: -3.43
• Polar Surface Area: 93.6 Å^2
• Rotatable Bonds: 4