ChemSpider 2D Image | N~2~-(4-Cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-5-[(3R)-3,4-dimethyl-1-piperazinyl]-N~4~-(1,5-dimethyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine | C24H32FN9

N2-(4-Cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-5-[(3R)-3,4-dimethyl-1-piperazinyl]-N4-(1,5-dimethyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine

  • Molecular FormulaC24H32FN9
  • Average mass465.570 Da
  • Monoisotopic mass465.276459 Da
  • ChemSpider ID90664602

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Pyrimidinediamine, N2-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-5-[(3R)-3,4-dimethyl-1-piperazinyl]-N4-(1,5-dimethyl-1H-pyrazol-3-yl)- [ACD/Index Name]
N2-(4-Cyclopropyl-5-fluor-6-methyl-2-pyridinyl)-5-[(3R)-3,4-dimethyl-1-piperazinyl]-N4-(1,5-dimethyl-1H-pyrazol-3-yl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N2-(4-Cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-5-[(3R)-3,4-dimethyl-1-piperazinyl]-N4-(1,5-dimethyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-(4-Cyclopropyl-5-fluoro-6-méthyl-2-pyridinyl)-5-[(3R)-3,4-diméthyl-1-pipérazinyl]-N4-(1,5-diméthyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
MMV253

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.0±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.60
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 90.74
ACD/KOC (pH 7.4): 748.29
Polar Surface Area: 87 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 335.1±7.0 cm3

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