ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-4-[6-(cyclopropylamino)-4-pyrimidinyl]-2-methyl-1-piperazinecarboxylate | C17H27N5O2

2-Methyl-2-propanyl (2S)-4-[6-(cyclopropylamino)-4-pyrimidinyl]-2-methyl-1-piperazinecarboxylate

  • Molecular FormulaC17H27N5O2
  • Average mass333.429 Da
  • Monoisotopic mass333.216461 Da
  • ChemSpider ID32793653

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-[6-(Cyclopropylamino)-4-pyrimidinyl]-2-méthyl-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-[6-(cyclopropylamino)-4-pyrimidinyl]-2-methyl-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-4-[6-(cyclopropylamino)-4-pyrimidinyl]-2-methyl-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-4-[6-(cyclopropylamino)-4-pyrimidinyl]-2-methyl-1-piperazincarboxylat [German] [ACD/IUPAC 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: 508.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.4±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 13.76
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 55.60
ACD/KOC (pH 7.4): 479.93
Polar Surface Area: 71 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 275.1±3.0 cm3

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