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Search term: NDIUYMHNCUTVGE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[(2-Methyl-2-propanyl)amino]-4-[(2-{[4-(4-pyridinyl)phenyl]amino}-4-pyrimidinyl)amino]-3-cyclobutene-1,2-dione | C23H22N6O2

3-[(2-Methyl-2-propanyl)amino]-4-[(2-{[4-(4-pyridinyl)phenyl]amino}-4-pyrimidinyl)amino]-3-cyclobutene-1,2-dione

  • Molecular FormulaC23H22N6O2
  • Average mass414.460 Da
  • Monoisotopic mass414.180420 Da
  • ChemSpider ID28650222

More details:

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

3-[(2-Methyl-2-propanyl)amino]-4-[(2-{[4-(4-pyridinyl)phenyl]amino}-4-pyrimidinyl)amino]-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-[(2-Methyl-2-propanyl)amino]-4-[(2-{[4-(4-pyridinyl)phenyl]amino}-4-pyrimidinyl)amino]-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-[(2-Méthyl-2-propanyl)amino]-4-[(2-{[4-(4-pyridinyl)phényl]amino}-4-pyrimidinyl)amino]-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[(1,1-dimethylethyl)amino]-4-[[2-[[4-(4-pyridinyl)phenyl]amino]-4-pyrimidinyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.0±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 34.08
ACD/KOC (pH 5.5): 347.19
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.46
ACD/KOC (pH 7.4): 758.52
Polar Surface Area: 109 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 308.9±5.0 cm3

Click to predict properties on the Chemicalize site


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