ChemSpider 2D Image | 6-(4-{[4-(~2~H_5_)Ethyl-1-piperazinyl]methyl}phenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C27H27D5N6

6-(4-{[4-(2H5)Ethyl-1-piperazinyl]methyl}phenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC27H27D5N6
  • Average mass445.614 Da
  • Monoisotopic mass445.300232 Da
  • ChemSpider ID48058827

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6-(4-{[4-(2H5)Ethyl-1-piperazinyl]methyl}phenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
6-(4-{[4-(2H5)Ethyl-1-piperazinyl]methyl}phenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
6-(4-{[4-(2H5)Éthyl-1-pipérazinyl]méthyl}phényl)-N-[(1R)-1-phényléthyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 6-[4-[[4-(ethyl-d5)-1-piperazinyl]methyl]phenyl]-N-[(1R)-1-phenylethyl]- [ACD/Index Name]
1292840-54-0 [RN]
6-[4-[[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
aee 788-d5

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.665
    Molar Refractivity: 135.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.76
    ACD/LogD (pH 5.5): 1.53
    ACD/BCF (pH 5.5): 1.77
    ACD/KOC (pH 5.5): 8.02
    ACD/LogD (pH 7.4): 3.81
    ACD/BCF (pH 7.4): 334.46
    ACD/KOC (pH 7.4): 1517.97
    Polar Surface Area: 60 Å2
    Polarizability: 53.9±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 366.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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