ChemSpider 2D Image | 4,6-Diamino-5-pyrimidinecarbonitrile | C5H5N5

4,6-Diamino-5-pyrimidinecarbonitrile

  • Molecular FormulaC5H5N5
  • Average mass135.127 Da
  • Monoisotopic mass135.054489 Da
  • ChemSpider ID24185553

More details:

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

109831-70-1 [RN]
4,6-Diamino-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4,6-Diamino-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4,6-Diamino-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4,6-diaminopyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile, 4,6-diamino- [ACD/Index Name]
4,6-diamino-5-cyanopyrimidine
5-Pyrimidinecarbonitrile, 4,6-diamino- (9CI)
5-pyrimidinecarbonitrile,4,6-diamino-
MFCD07760605

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 466.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.8±3.0 kJ/mol
    Flash Point: 235.6±28.7 °C
    Index of Refraction: 1.658
    Molar Refractivity: 34.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 0.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 28.59
    ACD/LogD (pH 7.4): 0.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 28.78
    Polar Surface Area: 102 Å2
    Polarizability: 13.5±0.5 10-24cm3
    Surface Tension: 109.7±5.0 dyne/cm
    Molar Volume: 92.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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