5-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-2-ethylpyrimidine

• ChemBase ID: 453350
• Molecular Formular: C24H28N4
• Molecular Mass: 372.50592
• Monoisotopic Mass: 372.23139692
• SMILES: N1(C(c2ccccc2)c2ccccc2)CCN(Cc2cnc(nc2)CC)CC1
• Canonical SMILES: CCc1ncc(cn1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H28N4/c1-2-23-25-17-20(18-26-23)19-27-13-15-28(16-14-27)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-18,24H,2,13-16,19H2,1H3
• InChIKey: LVHSNTUDDBFTCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-2-ethylpyrimidine
• IUPAC Traditional name: 5-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-2-ethylpyrimidine
• Synonyms: 5-{[4-(diphenylmethyl)-1-piperazinyl]methyl}-2-ethylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9632115
• LogD (pH = 7.4): 3.742807
• Log P: 4.4754076
• Molar Refractivity: 115.4618 cm^3
• Polarizability: 44.764565 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.2
• LOG S: -2.79
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 6