N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine

• ChemBase ID: 665591
• Molecular Formular: C10H13F3N4O
• Molecular Mass: 262.2316296
• Monoisotopic Mass: 262.10414572
• SMILES: c1(nc(ccn1)NC)N1CC(C(F)(F)F)OCC1
• Canonical SMILES: CNc1ccnc(n1)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C10H13F3N4O/c1-14-8-2-3-15-9(16-8)17-4-5-18-7(6-17)10(11,12)13/h2-3,7H,4-6H2,1H3,(H,14,15,16)
• InChIKey: QWMOWQASFYFWJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4940657
• LogD (pH = 7.4): 1.5560265
• Log P: 1.7001638
• Molar Refractivity: 61.799 cm^3
• Polarizability: 21.345942 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: 2.51
• LOG S: -3.26
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3