ChemSpider 2D Image | 4-Amino-2-(methylamino)-5-pyrimidinecarbonitrile | C6H7N5

4-Amino-2-(methylamino)-5-pyrimidinecarbonitrile

  • Molecular FormulaC6H7N5
  • Average mass149.153 Da
  • Monoisotopic mass149.070145 Da
  • ChemSpider ID27445198

More details:

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

4-Amino-2-(methylamino)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-2-(methylamino)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-2-(méthylamino)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-Amino-2-(methylamino)pyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile, 4-amino-2-(methylamino)- [ACD/Index Name]
98141-16-3 [RN]
5-pyrimidinecarbonitrile,4-amino-2-methylamino-
7-(Methylsulfonyl)quinolin-3-amine
MFCD18821974

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

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 409.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 201.6±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 38.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.60
    ACD/LogD (pH 5.5): 0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 28.37
    ACD/LogD (pH 7.4): 0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 30.67
    Polar Surface Area: 88 Å2
    Polarizability: 15.4±0.5 10-24cm3
    Surface Tension: 80.0±5.0 dyne/cm
    Molar Volume: 113.2±5.0 cm3

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