N-[3-(1H-imidazol-1-yl)propyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

• ChemBase ID: 524418
• Molecular Formular: C19H30N6
• Molecular Mass: 342.4817
• Monoisotopic Mass: 342.25319499
• SMILES: c1(nc(nc(c1)CCC)C)N1CCC(CC1)NCCCn1cncc1
• Canonical SMILES: CCCc1cc(nc(n1)C)N1CCC(CC1)NCCCn1cncc1
• InChI: InChI=1S/C19H30N6/c1-3-5-18-14-19(23-16(2)22-18)25-11-6-17(7-12-25)21-8-4-10-24-13-9-20-15-24/h9,13-15,17,21H,3-8,10-12H2,1-2H3
• InChIKey: BLKALOJKSGAEPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)propyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: N-[3-(imidazol-1-yl)propyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
• Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.082609
• LogD (pH = 7.4): -0.83640057
• Log P: 2.1972268
• Molar Refractivity: 102.8705 cm^3
• Polarizability: 38.74329 Å^3
• Polar Surface Area: 58.87 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 8
• H Acceptors: 4
• H Donor: 1
• Log P: 1.76
• LOG S: -2.19
• Polar Surface Area: 58.87 Å^2