1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-2-(propan-2-yl)-2,5-dihydro-1H-pyrrole

• ChemBase ID: 745531
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: c1(C(=O)N2C(C=CC2)C(C)C)n2c(nc1C)nccc2
• Canonical SMILES: CC(C1C=CCN1C(=O)c1c(C)nc2n1cccn2)C
• InChI: InChI=1S/C15H18N4O/c1-10(2)12-6-4-8-18(12)14(20)13-11(3)17-15-16-7-5-9-19(13)15/h4-7,9-10,12H,8H2,1-3H3
• InChIKey: NMTJZRDEOIHSAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-2-(propan-2-yl)-2,5-dihydro-1H-pyrrole
• IUPAC Traditional name: 2-isopropyl-1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}-2,5-dihydropyrrole
• Synonyms: 3-[(2-isopropyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-2-methylimidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.4
• LOG S: -2.37
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 0

JChem

• Molar Refractivity: 79.8944 cm^3
• Polarizability: 28.937435 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8163453
• LogD (pH = 7.4): 0.81641865
• Log P: 0.8164196