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Substance Name: Pyrimidine, 3,4,5,6-tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-
RN: 33235-92-6
InChIKey: VPFUOBXRNMBNCX-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-F-N2-O

Molecular Weight

  • 236.288
 
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Names and Synonyms

Synonyms

  • 2-(alpha-Ethoxy-3-fluorobenzyl)-3,4,5,6-pyrimidine
  • 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
  • 5-23-11-00391 (Beilstein Handbook Reference)
  • BRN 0796697

Systematic Name

  • Pyrimidine, 3,4,5,6-tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-

Registry Numbers

CAS Registry Number

  • 33235-92-6

System Generated Number

  • 0033235926

Structure Descriptors

InChI

1S/C13H17FN2O/c1-2-17-12(13-15-7-4-8-16-13)10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8H2,1H3,(H,15,16)

InChIKey

VPFUOBXRNMBNCX-UHFFFAOYSA-N

Smiles

C1(=NCCCN1)[C@@H](c1cc(F)ccc1)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 702, 1974.