N-[(2S,4R,6R)-2-{2-phenylimidazo[1,2-a]pyrimidin-3-yl}-6-(propan-2-yl)oxan-4-yl]acetamide

• ChemBase ID: 693270
• Molecular Formular: C22H26N4O2
• Molecular Mass: 378.46744
• Monoisotopic Mass: 378.20557609
• SMILES: c1(c(nc2n1cccn2)c1ccccc1)[C@H]1O[C@H](C[C@H](C1)NC(=O)C)C(C)C
• Canonical SMILES: CC(=O)N[C@@H]1C[C@@H](O[C@@H](C1)c1c(nc2n1cccn2)c1ccccc1)C(C)C
• InChI: InChI=1S/C22H26N4O2/c1-14(2)18-12-17(24-15(3)27)13-19(28-18)21-20(16-8-5-4-6-9-16)25-22-23-10-7-11-26(21)22/h4-11,14,17-19H,12-13H2,1-3H3,(H,24,27)/t17-,18-,19+/m1/s1
• InChIKey: SIOFWMLZSKVKHV-QRVBRYPASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S,4R,6R)-2-{2-phenylimidazo[1,2-a]pyrimidin-3-yl}-6-(propan-2-yl)oxan-4-yl]acetamide
• IUPAC Traditional name: N-[(2R,4R,6S)-2-isopropyl-6-{2-phenylimidazo[1,2-a]pyrimidin-3-yl}oxan-4-yl]acetamide
• Synonyms: N-[(2R*,4R*,6S*)-2-isopropyl-6-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)tetrahydro-2H-pyran-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.741706
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0298235
• LogD (pH = 7.4): 2.0300078
• Log P: 2.0300102
• Molar Refractivity: 108.9086 cm^3
• Polarizability: 42.947147 Å^3
• Polar Surface Area: 68.52 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: 1.31
• LOG S: -3.08
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4