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Search term: DTJKXSZSTAYKSN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{[(1-Ethyl-1H-imidazol-2-yl)methyl]amino}-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid | C15H17N5O2S

4-{[(1-Ethyl-1H-imidazol-2-yl)methyl]amino}-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid

  • Molecular FormulaC15H17N5O2S
  • Average mass331.393 Da
  • Monoisotopic mass331.110291 Da
  • ChemSpider ID75344379

More details:

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

4-{[(1-Ethyl-1H-imidazol-2-yl)methyl]amino}-2,5-dimethylthieno[2,3-d]pyrimidin-6-carbonsäure [German] [ACD/IUPAC Name]
4-{[(1-Ethyl-1H-imidazol-2-yl)methyl]amino}-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
Acide 4-{[(1-éthyl-1H-imidazol-2-yl)méthyl]amino}-2,5-diméthylthiéno[2,3-d]pyrimidine-6-carboxylique [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-[[(1-ethyl-1H-imidazol-2-yl)methyl]amino]-2,5-dimethyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.7±30.1 °C
Index of Refraction: 1.725
Molar Refractivity: 89.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 121 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 224.6±7.0 cm3

Click to predict properties on the Chemicalize site


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