5-[5-(1-Piperazinylmethyl)-1,3,4-Oxadiazol-2-Yl]-N~4~-Propyl-N~2~-[2-(4-Pyridinyl)Ethyl]-2,4-Pyrimidinediamine

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Formula C21H29N9O
IUPAC Name 5-[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-n4-propyl-n2-[2-(4-pyridyl)ethyl]pyrimidine-2,4-diamine
Molecular Mass 423.515 g·mol−1
Heat of Formation 287.0 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 514.93 Å 3
Surface Area 469.35 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[5-(1-piperazinylmethyl)-1,3,4-oxadiazol-2-yl]-n'-propyl-n-[2-(4-pyridyl)ethyl]pyrimidine-2,4-diamine
  • 5-[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-n'-propyl-n-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
  • 5-[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-n'-propyl-n-[2-(4-pyridyl)ethyl]pyrimidine-2,4-diamine
  • [5-[5-(piperazin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(4-pyridyl)ethylamino]pyrimidin-4-yl]-propyl-amine
InChIKey AOGSXPPPFJBSRA-UHFFFAOYSA-N
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