ChemSpider 2D Image | 5,6-Dimethyl-2-{3-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-3-oxopropyl}thieno[2,3-d]pyrimidin-4(1H)-one | C21H24N8O2S

5,6-Dimethyl-2-{3-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-3-oxopropyl}thieno[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID34279901

More details:

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

5,6-Dimethyl-2-{3-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-3-oxopropyl}thieno[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
5,6-Dimethyl-2-{3-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-3-oxopropyl}thieno[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
5,6-Diméthyl-2-{3-[4-(5-méthyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-pipérazinyl]-3-oxopropyl}thiéno[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(1H)-one, 5,6-dimethyl-2-[3-[4-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperazinyl]-3-oxopropyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.788
Molar Refractivity: 122.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.25
ACD/KOC (pH 5.5): 97.49
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 99.21
Polar Surface Area: 136 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 67.2±7.0 dyne/cm
Molar Volume: 290.2±7.0 cm3

Click to predict properties on the Chemicalize site


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