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

• ChemBase ID: 427051
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: c1(ncc(CN2CC(OCC2)Cc2ccc(cc2)OC)cn1)c1ncccc1
• Canonical SMILES: COc1ccc(cc1)CC1OCCN(C1)Cc1cnc(nc1)c1ccccn1
• InChI: InChI=1S/C22H24N4O2/c1-27-19-7-5-17(6-8-19)12-20-16-26(10-11-28-20)15-18-13-24-22(25-14-18)21-4-2-3-9-23-21/h2-9,13-14,20H,10-12,15-16H2,1H3
• InChIKey: AOQPJIMVHVJMGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.8988315
• LogD (pH = 7.4): 2.9879327
• Log P: 3.0555644
• Molar Refractivity: 118.7227 cm^3
• Polarizability: 42.503216 Å^3
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.24
• LOG S: -2.85
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 6