<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">9089</id>
  <title nil="true"/>
  <common-name>Terbumeton</common-name>
  <description nil="true"/>
  <cas>33693-04-8</cas>
  <pubchem-id>36584</pubchem-id>
  <chemical-formula>C10H19N5O</chemical-formula>
  <weight>225.29</weight>
  <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">2016-05-19T02:34:53Z</created-at>
  <updated-at type="dateTime">2026-08-18T02:45:05Z</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>CCN=C1N=C(NC(C)(C)C)NC(OC)=N1</moldb-smiles>
  <moldb-formula>C10H19N5O</moldb-formula>
  <moldb-inchi>InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)</moldb-inchi>
  <moldb-inchikey>BCQMBFHBDZVHKU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">225.296</moldb-average-mass>
  <moldb-mono-mass type="decimal">225.158960252</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>33617</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>CHEM007984</chemdb-id>
  <dsstox-id>DTXSID1042445</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000293</susdat-id>
  <iupac>2-N-tert-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine</iupac>
  <moldb-polar-surface-area>70.37</moldb-polar-surface-area>
  <moldb-refractivity>62.4625</moldb-refractivity>
  <moldb-polarizability>25.140717424885427</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>8.258814193932341</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>6.9151395797689</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.03</moldb-alogps-logp>
  <moldb-alogps-logs>-2.81</moldb-alogps-logs>
  <moldb-alogps-solubility>3.45e-01 g/l</moldb-alogps-solubility>
</compound>
