N-ethyl-2-methyl-6-(piperidin-4-yl)-N-propylpyrimidin-4-amine

• ChemBase ID: 774852
• Molecular Formular: C15H26N4
• Molecular Mass: 262.39374
• Monoisotopic Mass: 262.21574685
• SMILES: c1(nc(nc(c1)C1CCNCC1)C)N(CC)CCC
• Canonical SMILES: CCCN(c1nc(C)nc(c1)C1CCNCC1)CC
• InChI: InChI=1S/C15H26N4/c1-4-10-19(5-2)15-11-14(17-12(3)18-15)13-6-8-16-9-7-13/h11,13,16H,4-10H2,1-3H3
• InChIKey: PTGAKGOABAZOIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methyl-6-(piperidin-4-yl)-N-propylpyrimidin-4-amine
• IUPAC Traditional name: N-ethyl-2-methyl-6-(piperidin-4-yl)-N-propylpyrimidin-4-amine
• Synonyms: N-ethyl-2-methyl-6-piperidin-4-yl-N-propylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6493928
• LogD (pH = 7.4): 0.2955535
• Log P: 2.7932365
• Molar Refractivity: 81.1331 cm^3
• Polarizability: 30.576714 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.63
• LOG S: -2.35
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5