ChemSpider 2D Image | N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine | C17H17FN8S

N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine

  • Molecular FormulaC17H17FN8S
  • Average mass384.434 Da
  • Monoisotopic mass384.128082 Da
  • ChemSpider ID31137428

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N2-[(1S)-1-(5-Fluor-2-pyrimidinyl)ethyl]-7-methyl-N4-(1-methyl-1H-imidazol-4-yl)thieno[3,2-d]pyrimidin-2,4-diamin [German] [ACD/IUPAC Name]
N2-[(1S)-1-(5-Fluoro-2-pyrimidinyl)ethyl]-7-methyl-N4-(1-methyl-1H-imidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine [ACD/IUPAC Name]
N2-[(1S)-1-(5-Fluoro-2-pyrimidinyl)éthyl]-7-méthyl-N4-(1-méthyl-1H-imidazol-4-yl)thiéno[3,2-d]pyrimidine-2,4-diamine [French] [ACD/IUPAC Name]
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine
Thieno[3,2-d]pyrimidine-2,4-diamine, N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-7-methyl-N4-(1-methyl-1H-imidazol-4-yl)- [ACD/Index Name]
LMM

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

Density: 1.5±0.1 g/cm3
Boiling Point: 664.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.5±34.3 °C
Index of Refraction: 1.760
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.01
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 24.80
ACD/KOC (pH 7.4): 234.21
Polar Surface Area: 122 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 250.7±7.0 cm3

Click to predict properties on the Chemicalize site


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