4-(5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyrimidin-2-yl)morpholine

• ChemBase ID: 729986
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: c12C(c3cnc(nc3)N3CCOCC3)NCCc2[nH]cn1
• Canonical SMILES: O1CCN(CC1)c1ncc(cn1)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C14H18N6O/c1-2-15-12(13-11(1)18-9-19-13)10-7-16-14(17-8-10)20-3-5-21-6-4-20/h7-9,12,15H,1-6H2,(H,18,19)
• InChIKey: DURDPCMHAYSHKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyrimidin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyrimidin-2-yl)morpholine
• Synonyms: 4-(2-morpholin-4-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.942646
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.484426
• LogD (pH = 7.4): -0.33530536
• Log P: -0.19296685
• Molar Refractivity: 79.5074 cm^3
• Polarizability: 29.67544 Å^3
• Polar Surface Area: 78.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.14
• LOG S: -0.62
• Polar Surface Area: 78.96 Å^2
• Rotatable Bonds: 2