2,2-diethyl-4-[2-methyl-6-(piperidin-3-yl)pyrimidin-4-yl]morpholine

• ChemBase ID: 578540
• Molecular Formular: C18H30N4O
• Molecular Mass: 318.457
• Monoisotopic Mass: 318.2419616
• SMILES: c1(nc(nc(c1)C1CNCCC1)C)N1CC(OCC1)(CC)CC
• Canonical SMILES: CCC1(CC)OCCN(C1)c1cc(nc(n1)C)C1CCCNC1
• InChI: InChI=1S/C18H30N4O/c1-4-18(5-2)13-22(9-10-23-18)17-11-16(20-14(3)21-17)15-7-6-8-19-12-15/h11,15,19H,4-10,12-13H2,1-3H3
• InChIKey: UDTXFJDFVSOSOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethyl-4-[2-methyl-6-(piperidin-3-yl)pyrimidin-4-yl]morpholine
• IUPAC Traditional name: 2,2-diethyl-4-[2-methyl-6-(piperidin-3-yl)pyrimidin-4-yl]morpholine
• Synonyms: 2,2-diethyl-4-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.41290042
• LogD (pH = 7.4): 0.73921055
• Log P: 3.0056608
• Molar Refractivity: 94.1374 cm^3
• Polarizability: 36.059586 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.32
• LOG S: -2.5
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4