ChemSpider 2D Image | PIK-III | C17H17N7

PIK-III

  • Molecular FormulaC17H17N7
  • Average mass319.364 Da
  • Monoisotopic mass319.154541 Da
  • ChemSpider ID35034939

More details:

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

[4,5'-Bipyrimidine]-2,2'-diamine, 4'-(cyclopropylmethyl)-N2-4-pyridinyl- [ACD/Index Name]
1383716-40-2 [RN]
4'-(Cyclopropylmethyl)-N2-(4-pyridinyl)-4,5'-bipyrimidin-2,2'-diamin [German] [ACD/IUPAC Name]
4'-(Cyclopropylmethyl)-N2-(4-pyridinyl)-4,5'-bipyrimidine-2,2'-diamine [ACD/IUPAC Name]
4'-(Cyclopropylméthyl)-N2-(4-pyridinyl)-4,5'-bipyrimidine-2,2'-diamine [French] [ACD/IUPAC Name]
4'-(Cyclopropylmethyl)-N2-(Pyridin-4-Yl)-4,5'-Bipyrimidine-2,2'-Diamine
4'-(CYCLOPROPYLMETHYL)-N2-(PYRIDIN-4-YL)-[4,5'-BIPYRIMIDINE]-2,2'-DIAMINE
PIK-III
2UG
4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 657.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.8±3.0 kJ/mol
    Flash Point: 351.4±34.3 °C
    Index of Refraction: 1.723
    Molar Refractivity: 91.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 1.92
    ACD/BCF (pH 5.5): 15.05
    ACD/KOC (pH 5.5): 211.04
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.30
    ACD/KOC (pH 7.4): 340.80
    Polar Surface Area: 103 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 81.3±3.0 dyne/cm
    Molar Volume: 231.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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