ChemSpider 2D Image | Ethyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-5-pyrimidinecarboxylate | C16H18FN3O2

Ethyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-5-pyrimidinecarboxylate

  • Molecular FormulaC16H18FN3O2
  • Average mass303.331 Da
  • Monoisotopic mass303.138306 Da
  • ChemSpider ID21896720

More details:

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

2-Amino-4-(4-fluorophényl)-6-isopropyl-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-2-amino-4-(4-fluorphenyl)-6-isopropyl-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
13414-95-4 [RN]
2-Amino-4-(4-fluorophenyl)-6-(1-methylethyl)-5-pyrimidinecarboxylic acid ethyl ester
712320-67-7 [RN]
Ethyl 2-amino-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidine-5-carboxylate
Ethyl 2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate
ethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 505.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.7±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 400.57
ACD/KOC (pH 5.5): 2538.42
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 400.70
ACD/KOC (pH 7.4): 2539.21
Polar Surface Area: 78 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 252.1±3.0 cm3

Click to predict properties on the Chemicalize site


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