ChemSpider 2D Image | 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-bis[(~2~H_3_)methyl](~2~H_2_)benzonitrile | C20H7D8BrN6O

4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-bis[(2H3)methyl](2H2)benzonitrile

  • Molecular FormulaC20H7D8BrN6O
  • Average mass443.326 Da
  • Monoisotopic mass442.099274 Da
  • ChemSpider ID48063177

  • Non-standard isotope - Non-standard isotope

More details:

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

4-({6-Amino-5-brom-2-[(4-cyanphenyl)amino]-4-pyrimidinyl}oxy)-3,5-bis[(2H3)methyl](2H2)benzonitril [German] [ACD/IUPAC Name]
4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-bis[(2H3)methyl](2H2)benzonitrile [ACD/IUPAC Name]
4-({6-Amino-5-bromo-2-[(4-cyanophényl)amino]-4-pyrimidinyl}oxy)-3,5-bis[(2H3)méthyl](2H2)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,6-d2, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-di(methyl-d3)- [ACD/Index Name]
1142095-74-6 [RN]
1142096-06-7 [RN]
4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-2,6-dideuterio-3,5-bis(trideuteriomethyl)benzonitrile
4-{[6-Amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy}-3,5-bis[(2H3)methyl](2H2)benzonitrile

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 637.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.2±3.0 kJ/mol
    Flash Point: 339.3±34.3 °C
    Index of Refraction: 1.703
    Molar Refractivity: 106.9±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.19
    ACD/LogD (pH 5.5): 4.05
    ACD/BCF (pH 5.5): 709.61
    ACD/KOC (pH 5.5): 3822.57
    ACD/LogD (pH 7.4): 4.05
    ACD/BCF (pH 7.4): 709.65
    ACD/KOC (pH 7.4): 3822.77
    Polar Surface Area: 121 Å2
    Polarizability: 42.4±0.5 10-24cm3
    Surface Tension: 86.2±5.0 dyne/cm
    Molar Volume: 275.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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