ChemSpider 2D Image | 2-(Dimethylamino)-1-[4-(4-{[4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-2-pyrimidinyl]amino}phenyl)-1-piperazinyl]ethanone | C25H34N8O

2-(Dimethylamino)-1-[4-(4-{[4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-2-pyrimidinyl]amino}phenyl)-1-piperazinyl]ethanone

  • Molecular FormulaC25H34N8O
  • Average mass462.591 Da
  • Monoisotopic mass462.285553 Da
  • ChemSpider ID24699672

More details:

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

2-(Dimethylamino)-1-[4-(4-{[4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-2-pyrimidinyl]amino}phenyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-(Dimethylamino)-1-[4-(4-{[4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-2-pyrimidinyl]amino}phenyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-(Diméthylamino)-1-[4-(4-{[4-(1-isopropyl-2-méthyl-1H-imidazol-5-yl)-2-pyrimidinyl]amino}phényl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(dimethylamino)-1-[4-[4-[[4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-2-pyrimidinyl]amino]phenyl]-1-piperazinyl]- [ACD/Index Name]
862682-69-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478241/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.8±35.7 °C
Index of Refraction: 1.641
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 37.06
Polar Surface Area: 82 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 375.5±7.0 cm3

Click to predict properties on the Chemicalize site


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