N,6-dimethyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

• ChemBase ID: 481950
• Molecular Formular: C11H15F3N4O
• Molecular Mass: 276.2582096
• Monoisotopic Mass: 276.11979578
• SMILES: c1(nc(cc(n1)C)NC)N1CC(C(F)(F)F)OCC1
• Canonical SMILES: CNc1cc(C)nc(n1)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C11H15F3N4O/c1-7-5-9(15-2)17-10(16-7)18-3-4-19-8(6-18)11(12,13)14/h5,8H,3-4,6H2,1-2H3,(H,15,16,17)
• InChIKey: QIJKHFDJCZPYOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
• Synonyms: N,6-dimethyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.065690465
• LogD (pH = 7.4): 1.3372632
• Log P: 1.831534
• Molar Refractivity: 66.3905 cm^3
• Polarizability: 23.070488 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.97
• LOG S: -3.75
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3