2-(2,2-diphenylethyl)-4-[(2-methylpyrimidin-5-yl)methyl]morpholine

• ChemBase ID: 343399
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: N1(Cc2cnc(nc2)C)CC(CC(c2ccccc2)c2ccccc2)OCC1
• Canonical SMILES: Cc1ncc(cn1)CN1CCOC(C1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H27N3O/c1-19-25-15-20(16-26-19)17-27-12-13-28-23(18-27)14-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,15-16,23-24H,12-14,17-18H2,1H3
• InChIKey: BHTNMDCVYULGAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-diphenylethyl)-4-[(2-methylpyrimidin-5-yl)methyl]morpholine
• IUPAC Traditional name: 2-(2,2-diphenylethyl)-4-[(2-methylpyrimidin-5-yl)methyl]morpholine
• Synonyms: 2-(2,2-diphenylethyl)-4-[(2-methyl-5-pyrimidinyl)methyl]morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.84
• LOG S: -4.13
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 113.2463 cm^3
• Polarizability: 43.826744 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2613482
• LogD (pH = 7.4): 4.1057334
• Log P: 4.1402802