ChemSpider 2D Image | 4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-bis[(~2~H_3_)methyl]phenyl}amino)-2-pyrimidinyl]amino}benzonitrile | C22H12D6N6

4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-bis[(2H3)methyl]phenyl}amino)-2-pyrimidinyl]amino}benzonitrile

  • Molecular FormulaC22H12D6N6
  • Average mass372.456 Da
  • Monoisotopic mass372.196960 Da
  • ChemSpider ID48061344

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-bis[(2H3)methyl]phenyl}amino)-2-pyrimidinyl]amino}benzonitrile [ACD/IUPAC Name]
4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-bis[(2H3)méthyl]phényl}amino)-2-pyrimidinyl]amino}benzonitrile [French] [ACD/IUPAC Name]
4-{[4-({4-[(E)-2-Cyanvinyl]-2,6-bis[(2H3)methyl]phenyl}amino)-2-pyrimidinyl]amino}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-di(methyl-d3)phenyl]amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
1312424-26-2 [RN]
4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-bis[(2H3)methyl]anilino}pyrimidin-2-yl)amino]benzonitrile
4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-bis(trideuteriomethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
Rilpivirine-d6

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 634.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.7±3.0 kJ/mol
    Flash Point: 337.3±34.3 °C
    Index of Refraction: 1.665
    Molar Refractivity: 106.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 3.44
    ACD/BCF (pH 5.5): 218.02
    ACD/KOC (pH 5.5): 1449.40
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 336.18
    ACD/KOC (pH 7.4): 2234.95
    Polar Surface Area: 97 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 72.3±5.0 dyne/cm
    Molar Volume: 287.0±5.0 cm3

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