4-(6-methoxypyrimidin-4-yl)-2-(trifluoromethyl)morpholine

• ChemBase ID: 720508
• Molecular Formular: C10H12F3N3O2
• Molecular Mass: 263.2163896
• Monoisotopic Mass: 263.0881613
• SMILES: C(C1CN(c2cc(ncn2)OC)CCO1)(F)(F)F
• Canonical SMILES: COc1ncnc(c1)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C10H12F3N3O2/c1-17-9-4-8(14-6-15-9)16-2-3-18-7(5-16)10(11,12)13/h4,6-7H,2-3,5H2,1H3
• InChIKey: ADOOKMDREDENBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-methoxypyrimidin-4-yl)-2-(trifluoromethyl)morpholine
• IUPAC Traditional name: 4-(6-methoxypyrimidin-4-yl)-2-(trifluoromethyl)morpholine
• Synonyms: 4-(6-methoxypyrimidin-4-yl)-2-(trifluoromethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9218706
• LogD (pH = 7.4): 1.9845244
• Log P: 1.985386
• Molar Refractivity: 58.4359 cm^3
• Polarizability: 20.946083 Å^3
• Polar Surface Area: 47.48 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: 1.3
• LOG S: -2.23
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 3