ChemSpider 2D Image | 5-Bromo-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[3-(2-Phenylethyl)-1h-Pyrazol-5-Yl]pyrimidine-2,4-Diamine | C20H20BrN7O

5-Bromo-N2-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N4-[3-(2-Phenylethyl)-1h-Pyrazol-5-Yl]pyrimidine-2,4-Diamine

  • Molecular FormulaC20H20BrN7O
  • Average mass454.323 Da
  • Monoisotopic mass453.091278 Da
  • ChemSpider ID28523611

More details:

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

2,4-Pyrimidinediamine, 5-bromo-N2-[(3-methyl-5-isoxazolyl)methyl]-N4-[5-(2-phenylethyl)-1H-pyrazol-3-yl]- [ACD/Index Name]
5-Bromo-N2-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N4-[3-(2-Phenylethyl)-1h-Pyrazol-5-Yl]pyrimidine-2,4-Diamine
5-Bromo-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N4-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
0S9
5-Brom-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N4-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Bromo-N2-[(3-méthyl-1,2-oxazol-5-yl)méthyl]-N4-[5-(2-phényléthyl)-1H-pyrazol-3-yl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 678.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.0±34.3 °C
Index of Refraction: 1.709
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 618.22
ACD/KOC (pH 5.5): 3456.66
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 622.43
ACD/KOC (pH 7.4): 3480.18
Polar Surface Area: 105 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 295.6±3.0 cm3

Click to predict properties on the Chemicalize site


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