2-(3,4-dichlorophenyl)-4-[6-(morpholin-4-yl)pyrimidin-4-yl]morpholine

• ChemBase ID: 607492
• Molecular Formular: C18H20Cl2N4O2
• Molecular Mass: 395.283
• Monoisotopic Mass: 394.09633126
• SMILES: c1(N2CC(c3cc(c(cc3)Cl)Cl)OCC2)cc(N2CCOCC2)ncn1
• Canonical SMILES: Clc1ccc(cc1Cl)C1OCCN(C1)c1ncnc(c1)N1CCOCC1
• InChI: InChI=1S/C18H20Cl2N4O2/c19-14-2-1-13(9-15(14)20)16-11-24(5-8-26-16)18-10-17(21-12-22-18)23-3-6-25-7-4-23/h1-2,9-10,12,16H,3-8,11H2
• InChIKey: WSVSTFVCJHXPET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-[6-(morpholin-4-yl)pyrimidin-4-yl]morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-[6-(morpholin-4-yl)pyrimidin-4-yl]morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.756686
• LogD (pH = 7.4): 3.9102468
• Log P: 4.010067
• Molar Refractivity: 104.2479 cm^3
• Polarizability: 38.895786 Å^3
• Polar Surface Area: 50.72 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: 2.7
• LOG S: -4.39
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 3