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Search term: GRMVXENVVBTWDY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Bromo-N~4~-[3-(3-Methoxypropyl)-1h-Pyrazol-5-Yl]-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]pyrimidine-2,4-Diamine | C16H20BrN7O2

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

  • Molecular FormulaC16H20BrN7O2
  • Average mass422.280 Da
  • Monoisotopic mass421.086182 Da
  • ChemSpider ID28523380

More details:

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

2,4-Pyrimidinediamine, 5-bromo-N4-[5-(3-methoxypropyl)-1H-pyrazol-3-yl]-N2-[(3-methyl-5-isoxazolyl)methyl]- [ACD/Index Name]
5-Bromo-N4-[3-(3-Methoxypropyl)-1h-Pyrazol-5-Yl]-N2-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]pyrimidine-2,4-Diamine
5-Bromo-N4-[5-(3-methoxypropyl)-1H-pyrazol-3-yl]-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
0S8
5-Brom-N4-[5-(3-methoxypropyl)-1H-pyrazol-3-yl]-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Bromo-N4-[5-(3-méthoxypropyl)-1H-pyrazol-3-yl]-N2-[(3-méthyl-1,2-oxazol-5-yl)méthyl]-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: 660.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.2±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.97
ACD/KOC (pH 5.5): 460.24
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.22
ACD/KOC (pH 7.4): 463.42
Polar Surface Area: 114 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 274.3±3.0 cm3

Click to predict properties on the Chemicalize site


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