N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2,5,6-trimethylpyrimidin-4-amine

• ChemBase ID: 398213
• Molecular Formular: C16H20N6
• Molecular Mass: 296.3702
• Monoisotopic Mass: 296.17494467
• SMILES: c12nc(cn1cccn2)C(Nc1nc(nc(c1C)C)C)CC
• Canonical SMILES: CCC(c1nc2n(c1)cccn2)Nc1nc(C)nc(c1C)C
• InChI: InChI=1S/C16H20N6/c1-5-13(14-9-22-8-6-7-17-16(22)21-14)20-15-10(2)11(3)18-12(4)19-15/h6-9,13H,5H2,1-4H3,(H,18,19,20)
• InChIKey: QVCGSCBLGNNCAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2,5,6-trimethylpyrimidin-4-amine
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2,5,6-trimethylpyrimidin-4-amine
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2,5,6-trimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.860777
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0916154
• LogD (pH = 7.4): 2.3160796
• Log P: 2.4174306
• Molar Refractivity: 89.3266 cm^3
• Polarizability: 32.16229 Å^3
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.35
• LOG S: -3.3
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 4