ChemSpider 2D Image | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | C21H20ClN5O3

N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE

  • Molecular FormulaC21H20ClN5O3
  • Average mass425.868 Da
  • Monoisotopic mass425.125458 Da
  • ChemSpider ID23314982

More details:

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

2,4-Pyrimidinediamine, N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[3-(4-morpholinyl)phenyl]- [ACD/Index Name]
N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE
N4-(5-Chlor-1,3-benzodioxol-4-yl)-N2-[3-(4-morpholinyl)phenyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N4-(5-Chloro-1,3-benzodioxol-4-yl)-N2-[3-(4-morpholinyl)phenyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-(5-Chloro-1,3-benzodioxol-4-yl)-N2-[3-(4-morpholinyl)phényl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[3-(morpholin-4-yl)phenyl]pyrimidine-2,4-diamine
4-N-(5-chloro-2H-1,3-benzodioxol-4-yl)-2-N-[3-(morpholin-4-yl)phenyl]pyrimidine-2,4-diamine
7X7
N4-(5-chloro-2H-1,3-benzodioxol-4-yl)-N2-[3-(morpholin-4-yl)phenyl]pyrimidine-2,4-diamine
N4-(5-chlorobenzo[d][1,3]dioxol-4-yl)-N2-(3-morpholinophenyl)pyrimidine-2,4-diamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.3±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 186.80
ACD/KOC (pH 5.5): 1254.70
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.56
ACD/KOC (pH 7.4): 2173.24
Polar Surface Area: 81 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 294.4±3.0 cm3

Click to predict properties on the Chemicalize site


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