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Substance Name: Pyrimidine, 3,4,5,6-tetrahydro-3-butyl-2-(alpha-ethoxybenzyl)-5-methyl-
RN: 52963-63-0
InChIKey: QPFCPBGIHZXRES-UHFFFAOYSA-N

Molecular Formula

  • C18-H28-N2-O

Molecular Weight

  • 288.432
 
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Names and Synonyms

Synonyms

  • 3,4,5,6-Tetrahydro-3-butyl-2-(alpha-ethoxybenzyl)-5-methylpyrimidine
  • 3-Butyl-2-(alpha-ethoxybenzyl)-5-methyl-3,4,5,6-tetrahydropyrimidine
  • 5-23-11-00403 (Beilstein Handbook Reference)
  • BRN 0808372

Systematic Name

  • Pyrimidine, 3,4,5,6-tetrahydro-3-butyl-2-(alpha-ethoxybenzyl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 52963-63-0

System Generated Number

  • 0052963630

Structure Descriptors

InChI

1S/C18H28N2O/c1-4-6-12-20-14-15(3)13-19-18(20)17(21-5-2)16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3

InChIKey

QPFCPBGIHZXRES-UHFFFAOYSA-N

Smiles

C1(=NC[C@@H](CN1CCCC)C)[C@@H](c1ccccc1)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 875mg/kg (875mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 702, 1974.