ChemSpider 2D Image | 4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(4-morpholinylcarbonyl)phenyl]amino}-5-pyrimidinecarbonitrile | C21H21N7O2S

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

  • Molecular FormulaC21H21N7O2S
  • Average mass435.502 Da
  • Monoisotopic mass435.147736 Da
  • ChemSpider ID29395062

More details:

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

4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(4-morpholinylcarbonyl)phenyl]amino}-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(4-morpholinylcarbonyl)phenyl]amino}-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-[4-Méthyl-2-(méthylamino)-1,3-thiazol-5-yl]-2-{[3-(4-morpholinylcarbonyl)phényl]amino}-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile, 4-[4-methyl-2-(methylamino)-5-thiazolyl]-2-[[3-(4-morpholinylcarbonyl)phenyl]amino]- [ACD/Index Name]
4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]-2-{[3-(Morpholin-4-Ylcarbonyl)phenyl]amino} Pyrimidine-5-Carbonitrile
TJF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 726.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.3±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.20
ACD/KOC (pH 5.5): 128.45
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.20
ACD/KOC (pH 7.4): 128.55
Polar Surface Area: 144 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 305.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement