Diethyl 2-({4-[4-(2-Methoxyphenyl)-1-Piperazinyl]Butyl}Amino)-4,6-Dimethyl-5,5(2H)-Pyrimidinedicarboxylate

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Formula C27H41N5O5
IUPAC Name diethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethyl-2h-pyrimidine-5,5-dicarboxylate
Molecular Mass 515.645 g·mol−1
Heat of Formation -685.3 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 646.18 Å 3
Surface Area 525.8 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)amino-5-ethoxycarbonyl-4,6-dimethylpyrimidine
  • 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butylamino]-4,6-dimethyl-2h-pyrimidine-5,5-dicarboxylic acid diethyl ester
  • 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethyl-2h-pyrimidine-5,5-dicarboxylic acid diethyl ester
  • 5-pyrimidinecarboxylic acid, 2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)amino-5-ethoxycarbonyl-4,6-dimethyl-, ethyl ester
  • ik 29
  • ik-29
CAS Number(s)
  • 108381-48-2
InChIKey FTVIKKNKRRYXQZ-UHFFFAOYSA-N
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