<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45814</id>
  <title nil="true"/>
  <common-name>N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-[(1RS)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine</common-name>
  <description nil="true"/>
  <cas>950782-86-2</cas>
  <pubchem-id>58590448</pubchem-id>
  <chemical-formula>C16H20FN5</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-06-03T12:29:55Z</created-at>
  <updated-at type="dateTime">2026-03-26T21:01:00Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(F)C1=NC(=N)NC(N1)=NC1C(C)CC2=C1C=C(C)C=C2</moldb-smiles>
  <moldb-formula>C16H20FN5</moldb-formula>
  <moldb-inchi>InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)</moldb-inchi>
  <moldb-inchikey>YFONKFDEZLYQDH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">301.369</moldb-average-mass>
  <moldb-mono-mass type="decimal">301.170273827</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>21442049</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM044709</chemdb-id>
  <dsstox-id>DTXSID0058223</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00006695</stoff-ident-id>
  <susdat-id>NS00003397</susdat-id>
  <iupac>N2-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-diimine</iupac>
</compound>
