ChemSpider 2D Image | N~2~-[(3-Methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-2,4-pyrimidinediamine | C20H21N7O

N2-[(3-Methyl-1,2-oxazol-5-yl)methyl]-N4-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-2,4-pyrimidinediamine

  • Molecular FormulaC20H21N7O
  • Average mass375.427 Da
  • Monoisotopic mass375.180756 Da
  • ChemSpider ID28523528

More details:

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

2,4-Pyrimidinediamine, N2-[(3-methyl-5-isoxazolyl)methyl]-N4-[5-(2-phenylethyl)-1H-pyrazol-3-yl]- [ACD/Index Name]
N2-[(3-Methyl-1,2-oxazol-5-yl)methyl]-N4-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N4-[5-(2-Phenylethyl)-1h-Pyrazol-3-Yl]pyrimidine-2,4-Diamine
2M2
N2-[(3-Methyl-1,2-oxazol-5-yl)methyl]-N4-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
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: 1.3±0.1 g/cm3
Boiling Point: 667.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.3±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 79.30
ACD/KOC (pH 5.5): 751.73
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.85
ACD/KOC (pH 7.4): 918.16
Polar Surface Area: 105 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 279.4±3.0 cm3

Click to predict properties on the Chemicalize site


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