ChemSpider 2D Image | (2S)-1-(4-{[4-(2-Amino-5-pyrimidinyl)-6-methyl-2-(4-morpholinyl)thieno[3,2-d]pyrimidin-7-yl]methyl}-1-piperazinyl)-2-hydroxy-1-propanone | C23H30N8O3S

(2S)-1-(4-{[4-(2-Amino-5-pyrimidinyl)-6-methyl-2-(4-morpholinyl)thieno[3,2-d]pyrimidin-7-yl]methyl}-1-piperazinyl)-2-hydroxy-1-propanone

  • Molecular FormulaC23H30N8O3S
  • Average mass498.601 Da
  • Monoisotopic mass498.216156 Da
  • ChemSpider ID76824806

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-{[4-(2-Amino-5-pyrimidinyl)-6-methyl-2-(4-morpholinyl)thieno[3,2-d]pyrimidin-7-yl]methyl}-1-piperazinyl)-2-hydroxy-1-propanon [German] [ACD/IUPAC Name]
(2S)-1-(4-{[4-(2-Amino-5-pyrimidinyl)-6-methyl-2-(4-morpholinyl)thieno[3,2-d]pyrimidin-7-yl]methyl}-1-piperazinyl)-2-hydroxy-1-propanone [ACD/IUPAC Name]
(2S)-1-(4-{[4-(2-Amino-5-pyrimidinyl)-6-méthyl-2-(4-morpholinyl)thiéno[3,2-d]pyrimidin-7-yl]méthyl}-1-pipérazinyl)-2-hydroxy-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[[4-(2-amino-5-pyrimidinyl)-6-methyl-2-(4-morpholinyl)thieno[3,2-d]pyrimidin-7-yl]methyl]-1-piperazinyl]-2-hydroxy-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 823.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.7±37.1 °C
Index of Refraction: 1.677
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 44.86
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 60.36
Polar Surface Area: 162 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement