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

• ChemBase ID: 499772
• Molecular Formular: C14H13Cl2N3O
• Molecular Mass: 310.17852
• Monoisotopic Mass: 309.04356741
• SMILES: c1(cc(c2c(cc(cc2)Cl)Cl)ncn1)N1CCOCC1
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1ncnc(c1)N1CCOCC1
• InChI: InChI=1S/C14H13Cl2N3O/c15-10-1-2-11(12(16)7-10)13-8-14(18-9-17-13)19-3-5-20-6-4-19/h1-2,7-9H,3-6H2
• InChIKey: NGJULEHFMTVUJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7586954
• LogD (pH = 7.4): 3.7746935
• Log P: 3.7749014
• Molar Refractivity: 80.9127 cm^3
• Polarizability: 31.708733 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.53
• LOG S: -4.48
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2