5-{[4-(3-methoxybenzoyl)piperazin-1-yl]methyl}-2-(methoxymethyl)pyrimidine

• ChemBase ID: 341263
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(N1CCN(Cc2cnc(nc2)COC)CC1)c1cc(OC)ccc1
• Canonical SMILES: COCc1ncc(cn1)CN1CCN(CC1)C(=O)c1cccc(c1)OC
• InChI: InChI=1S/C19H24N4O3/c1-25-14-18-20-11-15(12-21-18)13-22-6-8-23(9-7-22)19(24)16-4-3-5-17(10-16)26-2/h3-5,10-12H,6-9,13-14H2,1-2H3
• InChIKey: DZRKOSVDRDOZDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[4-(3-methoxybenzoyl)piperazin-1-yl]methyl}-2-(methoxymethyl)pyrimidine
• IUPAC Traditional name: 5-{[4-(3-methoxybenzoyl)piperazin-1-yl]methyl}-2-(methoxymethyl)pyrimidine
• Synonyms: 5-{[4-(3-methoxybenzoyl)-1-piperazinyl]methyl}-2-(methoxymethyl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.54920924
• LogD (pH = 7.4): 0.92345786
• Log P: 0.9310979
• Molar Refractivity: 99.7978 cm^3
• Polarizability: 37.86812 Å^3
• Polar Surface Area: 67.79 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: 0.03
• LOG S: -3.13
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 6