4-{[3-(6-methoxypyrimidin-4-yl)phenyl]methyl}morpholine

• ChemBase ID: 344484
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1c(ncnc1OC)c1cc(CN2CCOCC2)ccc1
• Canonical SMILES: COc1ncnc(c1)c1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C16H19N3O2/c1-20-16-10-15(17-12-18-16)14-4-2-3-13(9-14)11-19-5-7-21-8-6-19/h2-4,9-10,12H,5-8,11H2,1H3
• InChIKey: XXPTZDSWOJDUED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(6-methoxypyrimidin-4-yl)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[3-(6-methoxypyrimidin-4-yl)phenyl]methyl}morpholine
• Synonyms: 4-[3-(6-methoxypyrimidin-4-yl)benzyl]morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.48
• LOG S: -2.39
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4

JChem

• H Donor: 0
• LogD (pH = 5.5): 0.8073897
• LogD (pH = 7.4): 2.117746
• Log P: 2.2424936
• Molar Refractivity: 81.8804 cm^3
• Polarizability: 32.71282 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5