6-[3-[4-(2-Methoxy-4-Hydroxyphenyl)Piperazinyl]Propylamino]-1,3-Dimethyluracil

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Formula C20H29N5O4++
IUPAC Name 6-[3-[4-(4-hydroxy-2-methoxy-phenyl)piperazin-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-dione
Molecular Mass 403.475 g·mol−1
Heat of Formation -525.1 ± 16.7 kJ·mol−1
Dipole Moment 9.13 ± 1.08 D
Volume 494.36 Å 3
Surface Area 412.23 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxyurapidil
  • 6-((3-[4-(4-hydroxy-2-methoxyphenyl)-1-piperazinyl]propyl)amino)-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione
  • 6-[3-[4-(4-hydroxy-2-methoxy-phenyl)piperazin-1-yl]propylamino]-1,3-dimethyl-pyrimidine-2,4-quinone
  • 6-[3-[4-(4-hydroxy-2-methoxyphenyl)-1-piperazinyl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
  • 6-[3-[4-(4-hydroxy-2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
  • para-hydroxyurapidil
CAS Number(s)
  • 88733-12-4
InChIKey WQYQEWKEJSPSCM-UHFFFAOYSA-N
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