ChemSpider 2D Image | N~4~-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]pyrimidine-2,4-Diamine | C22H25N7O3

N4-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-N2-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]pyrimidine-2,4-Diamine

  • Molecular FormulaC22H25N7O3
  • Average mass435.479 Da
  • Monoisotopic mass435.201874 Da
  • ChemSpider ID31131315

More details:

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

2,4-Pyrimidinediamine, N4-[5-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N2-[(3-methyl-5-isoxazolyl)methyl]- [ACD/Index Name]
N4-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-N2-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]pyrimidine-2,4-Diamine
N4-{5-[2-(3,4-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N4-{5-[2-(3,4-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-{5-[2-(3,4-Diméthoxyphényl)éthyl]-1H-pyrazol-3-yl}-N2-[(3-méthyl-1,2-oxazol-5-yl)méthyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
2K7

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.6±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 121.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 39.15
ACD/KOC (pH 5.5): 454.46
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.49
ACD/KOC (pH 7.4): 551.28
Polar Surface Area: 123 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 327.4±3.0 cm3

Click to predict properties on the Chemicalize site


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