5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-N,N,4-trimethylpyrimidin-2-amine

• ChemBase ID: 749305
• Molecular Formular: C18H21FN4O2
• Molecular Mass: 344.3833432
• Monoisotopic Mass: 344.16485415
• SMILES: C(=O)(c1c(nc(nc1)N(C)C)C)N1CC(c2ccc(cc2)F)OCC1
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)c1cnc(nc1C)N(C)C
• InChI: InChI=1S/C18H21FN4O2/c1-12-15(10-20-18(21-12)22(2)3)17(24)23-8-9-25-16(11-23)13-4-6-14(19)7-5-13/h4-7,10,16H,8-9,11H2,1-3H3
• InChIKey: ZKUBHZJLMKRURI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-N,N,4-trimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-N,N,4-trimethylpyrimidin-2-amine
• Synonyms: 5-{[2-(4-fluorophenyl)-4-morpholinyl]carbonyl}-N,N,4-trimethyl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9734023
• LogD (pH = 7.4): 1.9743574
• Log P: 1.9743696
• Molar Refractivity: 94.1339 cm^3
• Polarizability: 34.59085 Å^3
• Polar Surface Area: 58.56 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: 1.85
• LOG S: -3.29
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3