ChemSpider 2D Image | 5-Chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)-2-pyrimidinamine | C29H33ClN6

5-Chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)-2-pyrimidinamine

  • Molecular FormulaC29H33ClN6
  • Average mass501.065 Da
  • Monoisotopic mass500.245514 Da
  • ChemSpider ID75531294

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyrimidinamine, 5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)- [ACD/Index Name]
5-Chlor-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)-2-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-diméthyl-1-pipérazinyl]méthyl}phényl)-4-(6-méthyl-1H-indol-3-yl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
2294874-49-8 [RN]
2569527-64-4 [RN]
5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine
HM43239
HM-43239
Tuspetinib

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.9±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 18.83
ACD/KOC (pH 5.5): 39.95
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 333.44
ACD/KOC (pH 7.4): 707.40
Polar Surface Area: 69 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 398.3±3.0 cm3

Click to predict properties on the Chemicalize site


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