ChemSpider 2D Image | 4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[4-methyl-3-(4-morpholinylsulfonyl)phenyl]amino}-5-pyrimidinecarbonitrile | C21H23N7O3S2

4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[4-methyl-3-(4-morpholinylsulfonyl)phenyl]amino}-5-pyrimidinecarbonitrile

  • Molecular FormulaC21H23N7O3S2
  • Average mass485.582 Da
  • Monoisotopic mass485.130371 Da
  • ChemSpider ID29396374

More details:






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

4-(4-Methyl-2-Methylimino-3h-1,3-Thiazol-5-Yl)-2-[(4-Methyl-3-Morpholin-4-Ylsulfonyl-Phenyl)amino]pyrimidine-5-Carbonitrile
4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[4-methyl-3-(4-morpholinylsulfonyl)phenyl]amino}-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[4-methyl-3-(4-morpholinylsulfonyl)phenyl]amino}-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-[4-Méthyl-2-(méthylamino)-1,3-thiazol-5-yl]-2-{[4-méthyl-3-(4-morpholinylsulfonyl)phényl]amino}-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-[4-methyl-2-(methylamino)-5-thiazolyl]-2-[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]amino]- [ACD/Index Name]
10.1021/jm301495v
1189558-88-0 [RN]
4-(4-methyl-2-(methylamino)thiazol-5-yl)-2-(4-methyl-3-(morpholinosulfonyl)phenylamino)pyrimidine-5-carbonitrile
CDKI-83
T7Z

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 748.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.6±35.7 °C
Index of Refraction: 1.684
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.88
ACD/KOC (pH 5.5): 285.03
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.90
ACD/KOC (pH 7.4): 285.25
Polar Surface Area: 170 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

Click to predict properties on the Chemicalize site






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