ChemSpider 2D Image | tert-Butyl 3-((6-(cyclopropylamino)pyrimidin-4-yl)amino)piperidine-1-carboxylate | C17H27N5O2

tert-Butyl 3-((6-(cyclopropylamino)pyrimidin-4-yl)amino)piperidine-1-carboxylate

  • Molecular FormulaC17H27N5O2
  • Average mass333.429 Da
  • Monoisotopic mass333.216461 Da
  • ChemSpider ID28303561

More details:

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

1353944-47-4 [RN]
1-Piperidinecarboxylic acid, 3-[[6-(cyclopropylamino)-4-pyrimidinyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[6-(cyclopropylamino)-4-pyrimidinyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[6-(cyclopropylamino)-4-pyrimidinyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-{[6-(Cyclopropylamino)-4-pyrimidinyl]amino}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-((6-(cyclopropylamino)pyrimidin-4-yl)amino)piperidine-1-carboxylate
3-(6-Cyclopropylaminopyrimidin-4-ylamino)piperidine-1-carboxylic acid tert-butyl ester
3-(6-Cyclopropylaminopyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
3-(6-Cyclopropylamino-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
MFCD21098659 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 522.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.6±3.0 kJ/mol
    Flash Point: 269.6±30.1 °C
    Index of Refraction: 1.625
    Molar Refractivity: 93.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.48
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 50.61
    ACD/KOC (pH 5.5): 361.47
    ACD/LogD (pH 7.4): 3.46
    ACD/BCF (pH 7.4): 249.60
    ACD/KOC (pH 7.4): 1782.88
    Polar Surface Area: 79 Å2
    Polarizability: 37.1±0.5 10-24cm3
    Surface Tension: 66.2±3.0 dyne/cm
    Molar Volume: 264.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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