(1R,1'R)-1,1'-{[(2R,6S)-2,6-Dimethyl-1,4-Piperazinediyl]Di-4,2-Pyrimidinediyl}Diethanol

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Properties Simple | Detailed

Formula C18H26N6O2
IUPAC Name (1r)-1-[4-[(3r,5s)-4-[2-[(1r)-1-hydroxyethyl]pyrimidin-4-yl]-3,5-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethanol
Molecular Mass 358.438 g·mol−1
Heat of Formation -174.7 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 440.52 Å 3
Surface Area 375.84 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-[4-[(2s,6r)-4-[2-(1-hydroxyethyl)-4-pyrimidinyl]-2,6-dimethyl-1-piperazinyl]-2-pyrimidinyl]ethanol
  • (1r)-1-[4-[(2s,6r)-4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl]pyrimidin-2-yl]ethanol
  • (1r)-1-[4-[(2s,6r)-4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
InChIKey ATNZXIACLONSSN-XJFOESAGSA-N
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