2-(methoxymethyl)-5-{[4-(4-methoxyphenoxy)piperidin-1-yl]methyl}pyrimidine

• ChemBase ID: 480540
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: N1(Cc2cnc(nc2)COC)CCC(Oc2ccc(cc2)OC)CC1
• Canonical SMILES: COCc1ncc(cn1)CN1CCC(CC1)Oc1ccc(cc1)OC
• InChI: InChI=1S/C19H25N3O3/c1-23-14-19-20-11-15(12-21-19)13-22-9-7-18(8-10-22)25-17-5-3-16(24-2)4-6-17/h3-6,11-12,18H,7-10,13-14H2,1-2H3
• InChIKey: JKFGUEZPAITTCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)-5-{[4-(4-methoxyphenoxy)piperidin-1-yl]methyl}pyrimidine
• IUPAC Traditional name: 2-(methoxymethyl)-5-{[4-(4-methoxyphenoxy)piperidin-1-yl]methyl}pyrimidine
• Synonyms: 2-(methoxymethyl)-5-{[4-(4-methoxyphenoxy)-1-piperidinyl]methyl}pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.13991506
• LogD (pH = 7.4): 1.4241251
• Log P: 1.6929888
• Molar Refractivity: 96.7902 cm^3
• Polarizability: 37.542797 Å^3
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.48
• LOG S: -1.96
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 7