2-ethyl-4-{[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl}morpholine

• ChemBase ID: 407115
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(ncc(CN2CC(OCC2)CC)cn1)c1ccc(cc1)OC
• Canonical SMILES: CCC1OCCN(C1)Cc1cnc(nc1)c1ccc(cc1)OC
• InChI: InChI=1S/C18H23N3O2/c1-3-16-13-21(8-9-23-16)12-14-10-19-18(20-11-14)15-4-6-17(22-2)7-5-15/h4-7,10-11,16H,3,8-9,12-13H2,1-2H3
• InChIKey: HFLIDOKXLIXXGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-{[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl}morpholine
• IUPAC Traditional name: 2-ethyl-4-{[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl}morpholine
• Synonyms: 2-ethyl-4-{[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4818345
• LogD (pH = 7.4): 2.6590436
• Log P: 2.7450712
• Molar Refractivity: 101.1566 cm^3
• Polarizability: 35.711636 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.46
• LOG S: -2.58
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 5