4-[5-(2-ethyl-2,5-dihydro-1H-pyrrole-1-carbonyl)pyrimidin-2-yl]morpholine

• ChemBase ID: 861319
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: C(=O)(N1C(C=CC1)CC)c1cnc(nc1)N1CCOCC1
• Canonical SMILES: CCC1C=CCN1C(=O)c1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C15H20N4O2/c1-2-13-4-3-5-19(13)14(20)12-10-16-15(17-11-12)18-6-8-21-9-7-18/h3-4,10-11,13H,2,5-9H2,1H3
• InChIKey: ZMINABYJTJQGDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(2-ethyl-2,5-dihydro-1H-pyrrole-1-carbonyl)pyrimidin-2-yl]morpholine
• IUPAC Traditional name: 4-[5-(2-ethyl-2,5-dihydropyrrole-1-carbonyl)pyrimidin-2-yl]morpholine
• Synonyms: 4-{5-[(2-ethyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]pyrimidin-2-yl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2107962
• LogD (pH = 7.4): 1.2108449
• Log P: 1.2108455
• Molar Refractivity: 82.3356 cm^3
• Polarizability: 29.949377 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.5
• LOG S: -1.73
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3