ChemSpider 2D Image | 4-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-thienyl]-5-methyl-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-2-pyrimidinamine | C26H29N5O2S

4-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-thienyl]-5-methyl-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-2-pyrimidinamine

  • Molecular FormulaC26H29N5O2S
  • Average mass475.606 Da
  • Monoisotopic mass475.204193 Da
  • ChemSpider ID28600177

More details:

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

1138472-98-6 [RN]
2-Pyrimidinamine, 4-[5-(3,5-dimethyl-4-isoxazolyl)-2-thienyl]-5-methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- [ACD/Index Name]
4-(5-(3,5-Dimethylisoxazol-4-yl)thiophen-2-yl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyrimidin-2-amine
4-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-thienyl]-5-methyl-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-thienyl]-5-methyl-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-2-pyrimidinamine [ACD/IUPAC Name]
4-[5-(3,5-Diméthyl-1,2-oxazol-4-yl)-2-thiényl]-5-méthyl-N-{4-[2-(1-pyrrolidinyl)éthoxy]phényl}-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]-5-methyl-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pyrimidin-2-amine
MFCD17170251

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.7±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 9.01
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 18.70
ACD/KOC (pH 7.4): 67.48
Polar Surface Area: 105 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 383.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement