2-benzyl-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine

• ChemBase ID: 862848
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: N1(Cc2cnc(nc2)CC)CC(OCC1)Cc1ccccc1
• Canonical SMILES: CCc1ncc(cn1)CN1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C18H23N3O/c1-2-18-19-11-16(12-20-18)13-21-8-9-22-17(14-21)10-15-6-4-3-5-7-15/h3-7,11-12,17H,2,8-10,13-14H2,1H3
• InChIKey: ORDRFGOXSUVIPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
• IUPAC Traditional name: 2-benzyl-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
• Synonyms: 2-benzyl-4-[(2-ethyl-5-pyrimidinyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9680637
• LogD (pH = 7.4): 2.864049
• Log P: 2.903933
• Molar Refractivity: 88.6286 cm^3
• Polarizability: 34.205532 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.55
• LOG S: -2.7
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4