ChemSpider 2D Image | 3-({2-[(3,4-Dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-4-[(3,3-dimethyl-2-butanyl)amino]-3-cyclobutene-1,2-dione | C22H27N5O4

3-({2-[(3,4-Dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-4-[(3,3-dimethyl-2-butanyl)amino]-3-cyclobutene-1,2-dione

  • Molecular FormulaC22H27N5O4
  • Average mass425.481 Da
  • Monoisotopic mass425.206299 Da
  • ChemSpider ID24808647

More details:

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

3-({2-[(3,4-Dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-4-[(3,3-dimethyl-2-butanyl)amino]-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-({2-[(3,4-Dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-4-[(3,3-dimethyl-2-butanyl)amino]-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-({2-[(3,4-Diméthoxyphényl)amino]-4-pyrimidinyl}amino)-4-[(3,3-diméthyl-2-butanyl)amino]-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[[2-[(3,4-dimethoxyphenyl)amino]-4-pyrimidinyl]amino]-4-[(1,2,2-trimethylpropyl)amino]- [ACD/Index Name]
Kinome_2443

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 304.0±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 33.31
ACD/KOC (pH 5.5): 363.81
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.48
ACD/KOC (pH 7.4): 638.60
Polar Surface Area: 114 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 334.0±5.0 cm3

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