<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">282203</id>
  <title nil="true"/>
  <common-name>2-[[4-(cyclopropylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol</common-name>
  <description>2-[[4-(cyclopropylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol belongs to the 1,3,5-triazines, a subclass of triazines within the organic compounds. It is classified as an organoheterocyclic compound with the formula C11H19N5OS. This compound has an average molecular weight of 269.37 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>166637318</pubchem-id>
  <chemical-formula>C11H19N5OS</chemical-formula>
  <weight>269.37</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">2026-08-27T17:40:41Z</created-at>
  <updated-at type="dateTime">2026-08-27T17:40:41Z</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(C)(CO)NC1=NC(=NC(=N1)NC2CC2)SC</moldb-smiles>
  <moldb-formula>C11H19N5OS</moldb-formula>
  <moldb-inchi>InChI=1S/C11H19N5OS/c1-11(2,6-17)16-9-13-8(12-7-4-5-7)14-10(15-9)18-3/h7,17H,4-6H2,1-3H3,(H2,12,13,14,15,16)</moldb-inchi>
  <moldb-inchikey>HFCMSBLJLJOGGL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">269.1310314</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM278096</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[[4-(cyclopropylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Triazines</klass>
  <subklass>1,3,5-triazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0234150</sync-id>
  <structure-inchikey>HFCMSBLJLJOGGL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000800000003800000000000000020000000002000000000000000000000000000000100000002000a00000000000000000000000000000000000000000000000000000000001000000000000000004000000000000000000000004010000000000000000000000000000020000000000000000000000100000000040000002000000000000010080000000800000000000000000008000000000000004000000000000080000000000002000000000000000000000000000000000000604000000000020000000000000000000001000008000000020000000000000000001000000000000000000000000000000000000000000400000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������h�������@(������@(������@(������@(������@(������@(�������h��������`�������`�������`������� ������`����������������������� ��h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:57:05Z</structure-indexed-at>
</compound>
