N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-methoxypropanamide

• ChemBase ID: 340425
• Molecular Formular: C13H18N4O2
• Molecular Mass: 262.30762
• Monoisotopic Mass: 262.14297584
• SMILES: c12nc(cn1cccn2)C(NC(=O)CCOC)CC
• Canonical SMILES: COCCC(=O)NC(c1cn2c(n1)nccc2)CC
• InChI: InChI=1S/C13H18N4O2/c1-3-10(15-12(18)5-8-19-2)11-9-17-7-4-6-14-13(17)16-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,15,18)
• InChIKey: CHDZSSHAYQWHEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-methoxypropanamide
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-methoxypropanamide
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-methoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.412763
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.013449185
• LogD (pH = 7.4): -0.012453428
• Log P: -0.012440338
• Molar Refractivity: 72.3553 cm^3
• Polarizability: 27.219177 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.18
• LOG S: -2.27
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6