ChemSpider 2D Image | N~4~-(2-{4-[(2-Methoxyethyl)sulfonyl]-1-piperazinyl}ethyl)-N~2~,N~2~,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | C18H31N7O3S

N4-(2-{4-[(2-Methoxyethyl)sulfonyl]-1-piperazinyl}ethyl)-N2,N2,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

  • Molecular FormulaC18H31N7O3S
  • Average mass425.549 Da
  • Monoisotopic mass425.220917 Da
  • ChemSpider ID35273616

More details:

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

7H-Pyrrolo[2,3-d]pyrimidine-2,4-diamine, N4-[2-[4-[(2-methoxyethyl)sulfonyl]-1-piperazinyl]ethyl]-N2,N2,6-trimethyl- [ACD/Index Name]
N4-(2-{4-[(2-Methoxyethyl)sulfonyl]-1-piperazinyl}ethyl)-N2,N2,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2,4-diamin [German] [ACD/IUPAC Name]
N4-(2-{4-[(2-Methoxyethyl)sulfonyl]-1-piperazinyl}ethyl)-N2,N2,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine [ACD/IUPAC Name]
N4-(2-{4-[(2-Méthoxyéthyl)sulfonyl]-1-pipérazinyl}éthyl)-N2,N2,6-triméthyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.87
Polar Surface Area: 115 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 317.8±5.0 cm3

Click to predict properties on the Chemicalize site


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