ChemSpider 2D Image | 2-Methyl-2-propanyl {(3R)-1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidinyl}carbamate | C17H27N5O2

2-Methyl-2-propanyl {(3R)-1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidinyl}carbamate

  • Molecular FormulaC17H27N5O2
  • Average mass333.429 Da
  • Monoisotopic mass333.216461 Da
  • ChemSpider ID32793635

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(3R)-1-[6-(Cyclopropylamino)-4-pyrimidinyl]-3-pipéridinyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(3R)-1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidinyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(3R)-1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidinyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3R)-1-[6-(cyclopropylamino)-4-pyrimidinyl]-3-piperidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.26
ACD/KOC (pH 5.5): 17.06
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 80.32
ACD/KOC (pH 7.4): 606.05
Polar Surface Area: 79 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 277.1±5.0 cm3

Click to predict properties on the Chemicalize site


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