N-(3,3-diphenylpropyl)-2-(ethylamino)pyrimidine-5-carboxamide

• ChemBase ID: 764511
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c1(C(=O)NCCC(c2ccccc2)c2ccccc2)cnc(nc1)NCC
• Canonical SMILES: CCNc1ncc(cn1)C(=O)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H24N4O/c1-2-23-22-25-15-19(16-26-22)21(27)24-14-13-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,20H,2,13-14H2,1H3,(H,24,27)(H,23,25,26)
• InChIKey: MCUVGBZYCYUFPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-2-(ethylamino)pyrimidine-5-carboxamide
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-2-(ethylamino)pyrimidine-5-carboxamide
• Synonyms: N-(3,3-diphenylpropyl)-2-(ethylamino)pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.719407
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.51086
• LogD (pH = 7.4): 3.5109487
• Log P: 3.51095
• Molar Refractivity: 110.198 cm^3
• Polarizability: 40.91617 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.53
• LOG S: -4.84
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 8