4-(2-Fluorophenyl)-6-Methyl-2-(1-Piperazinyl)Thieno(2,3-D)Pyrimidine

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Properties Simple | Detailed

Formula C17H17FN4S
IUPAC Name 4-(2-fluorophenyl)-6-methyl-2-piperazin-1-yl-thieno[2,3-d]pyrimidine
Molecular Mass 328.407 g·mol−1
Heat of Formation 149.9 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 373.64 Å 3
Surface Area 334.79 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-fluorophenyl)-6-methyl-2-(1-piperazinyl)thieno[2,3-d]pyrimidine
  • 4-(2-fluorophenyl)-6-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
CAS Number(s)
  • 135991-48-9
InChIKey FVIVKIGLBDRWNR-UHFFFAOYSA-N
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Elements H S N C F