N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide

• ChemBase ID: 862753
• Molecular Formular: C18H20N6O2
• Molecular Mass: 352.3904
• Monoisotopic Mass: 352.16477391
• SMILES: c12nc(cn1cccn2)CNC(=O)C(N1CCOCC1)c1cnccc1
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)NCc1cn2c(n1)nccc2
• InChI: InChI=1S/C18H20N6O2/c25-17(21-12-15-13-24-6-2-5-20-18(24)22-15)16(14-3-1-4-19-11-14)23-7-9-26-10-8-23/h1-6,11,13,16H,7-10,12H2,(H,21,25)
• InChIKey: PACBTFSELHTXPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide
• Synonyms: N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-2-(4-morpholinyl)-2-(3-pyridinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.033196
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.8600993
• LogD (pH = 7.4): -0.7760405
• Log P: -0.7748632
• Molar Refractivity: 96.8891 cm^3
• Polarizability: 36.703327 Å^3
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.02
• LOG S: -0.91
• Polar Surface Area: 84.65 Å^2
• Rotatable Bonds: 5