ChemSpider 2D Image | Diethyl 2-({4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}amino)-4,6-dimethyl-5,5(2H)-pyrimidinedicarboxylate | C27H41N5O5

Diethyl 2-({4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}amino)-4,6-dimethyl-5,5(2H)-pyrimidinedicarboxylate

  • Molecular FormulaC27H41N5O5
  • Average mass515.645 Da
  • Monoisotopic mass515.310791 Da
  • ChemSpider ID159846

More details:

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

2-({4-[4-(2-Méthoxyphényl)-1-pipérazinyl]butyl}amino)-4,6-diméthyl-5,5(2H)-pyrimidinedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
5,5(2H)-Pyrimidinedicarboxylic acid, 2-[[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]amino]-4,6-dimethyl-, diethyl ester [ACD/Index Name]
5-Pyrimidinecarboxylic acid, 2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)amino-5-ethoxycarbonyl-4,6-dimethyl-, ethyl ester
Diethyl 2-({4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}amino)-4,6-dimethyl-5,5(2H)-pyrimidinedicarboxylate [ACD/IUPAC Name]
Diethyl-2-({4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}amino)-4,6-dimethyl-5,5(2H)-pyrimidindicarboxylat [German] [ACD/IUPAC Name]
108381-48-2 [RN]

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

IK 29 [DBID]
IK-29 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.9±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 8.38
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 1642.98
ACD/KOC (pH 7.4): 4771.55
Polar Surface Area: 105 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 431.9±7.0 cm3

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