5-(2-ethoxyphenyl)-4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine

• ChemBase ID: 368345
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: n1c(N2CCN(CC2)C)ncc(c1c1ccc(cc1)C)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1cnc(nc1c1ccc(cc1)C)N1CCN(CC1)C
• InChI: InChI=1S/C24H28N4O/c1-4-29-22-8-6-5-7-20(22)21-17-25-24(28-15-13-27(3)14-16-28)26-23(21)19-11-9-18(2)10-12-19/h5-12,17H,4,13-16H2,1-3H3
• InChIKey: WIFSENGOCDOFGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-ethoxyphenyl)-4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine
• IUPAC Traditional name: 5-(2-ethoxyphenyl)-4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine
• Synonyms: 5-(2-ethoxyphenyl)-4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1675906
• LogD (pH = 7.4): 4.768303
• Log P: 5.076544
• Molar Refractivity: 119.3004 cm^3
• Polarizability: 47.83079 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.54
• LOG S: -4.05
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5