4-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2-(trifluoromethyl)morpholine

• ChemBase ID: 342470
• Molecular Formular: C12H11F3N4O2
• Molecular Mass: 300.2365496
• Monoisotopic Mass: 300.08341027
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CC(C(F)(F)F)OCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C12H11F3N4O2/c13-12(14,15)9-7-18(4-5-21-9)10(20)8-6-19-3-1-2-16-11(19)17-8/h1-3,6,9H,4-5,7H2
• InChIKey: BZBBRZDFELXWID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2-(trifluoromethyl)morpholine
• IUPAC Traditional name: 4-{imidazo[1,2-a]pyrimidine-2-carbonyl}-2-(trifluoromethyl)morpholine
• Synonyms: 2-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2874886
• LogD (pH = 7.4): 0.28750035
• Log P: 0.2875005
• Molar Refractivity: 67.4842 cm^3
• Polarizability: 24.02331 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.4
• LOG S: -2.36
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2