ChemSpider 2D Image | 2-[[3-(1,4-Diazepan-1-Yl)phenyl]amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile | C21H24N8S

2-[[3-(1,4-Diazepan-1-Yl)phenyl]amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile

  • Molecular FormulaC21H24N8S
  • Average mass420.534 Da
  • Monoisotopic mass420.184448 Da
  • ChemSpider ID29398019

More details:

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

2-[[3-(1,4-Diazepan-1-Yl)phenyl]amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile
2-{[3-(1,4-Diazepan-1-yl)phenyl]amino}-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-{[3-(1,4-Diazepan-1-yl)phenyl]amino}-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-{[3-(1,4-Diazépan-1-yl)phényl]amino}-4-[4-méthyl-2-(méthylamino)-1,3-thiazol-5-yl]-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 2-[[3-(hexahydro-1H-1,4-diazepin-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-5-thiazolyl]- [ACD/Index Name]
1421340-50-2 [RN]
2-[3-(1,4-diazepan-1-yl)anilino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
2-{[3-(1,4-diazepan-1-yl)phenyl]amino}-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
T3C

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 695.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.8±3.0 kJ/mol
    Flash Point: 374.3±34.3 °C
    Index of Refraction: 1.681
    Molar Refractivity: 117.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): -0.90
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.60
    Polar Surface Area: 130 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 78.8±5.0 dyne/cm
    Molar Volume: 310.5±5.0 cm3

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