4-[(2-ethylpyrimidin-4-yl)methyl]-2-(pyridin-3-yl)morpholine

• ChemBase ID: 622261
• Molecular Formular: C16H20N4O
• Molecular Mass: 284.3562
• Monoisotopic Mass: 284.16371128
• SMILES: N1(CC(c2cnccc2)OCC1)Cc1nc(ncc1)CC
• Canonical SMILES: CCc1nccc(n1)CN1CCOC(C1)c1cccnc1
• InChI: InChI=1S/C16H20N4O/c1-2-16-18-7-5-14(19-16)11-20-8-9-21-15(12-20)13-4-3-6-17-10-13/h3-7,10,15H,2,8-9,11-12H2,1H3
• InChIKey: VOBJQDKRNGOQBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-ethylpyrimidin-4-yl)methyl]-2-(pyridin-3-yl)morpholine
• IUPAC Traditional name: 4-[(2-ethylpyrimidin-4-yl)methyl]-2-(pyridin-3-yl)morpholine
• Synonyms: 4-[(2-ethylpyrimidin-4-yl)methyl]-2-pyridin-3-ylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3180356
• LogD (pH = 7.4): 1.551046
• Log P: 1.5549768
• Molar Refractivity: 81.1945 cm^3
• Polarizability: 31.528442 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.06
• LOG S: 0.55
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4