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<compound>
  <id type="integer">285288</id>
  <title nil="true"/>
  <common-name>5-bromo-6-chloro-2-(4-methylpiperazin-1-yl)-n-propan-2-ylpyrimidin-4-amine</common-name>
  <description>5-bromo-6-chloro-2-(4-methylpiperazin-1-yl)-n-propan-2-ylpyrimidin-4-amine belongs to the piperazines, a subclass of diazinanes within the organic compounds. This organoheterocyclic compound has the formula C12H19BrClN5 and an average molecular weight of 348.67 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3046305</pubchem-id>
  <chemical-formula>C12H19BrClN5</chemical-formula>
  <weight>348.67</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">2026-08-27T21:01:38Z</created-at>
  <updated-at type="dateTime">2026-08-27T21:01:38Z</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)NC1=C(C(=NC(=N1)N2CCN(CC2)C)Cl)Br</moldb-smiles>
  <moldb-formula>C12H19BrClN5</moldb-formula>
  <moldb-inchi>InChI=1S/C12H19BrClN5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)</moldb-inchi>
  <moldb-inchikey>VVOIXIDITDXJHG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">347.05124</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</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>CHEM281181</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>5-bromo-6-chloro-2-(4-methylpiperazin-1-yl)-n-propan-2-ylpyrimidin-4-amine</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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0237117</sync-id>
  <structure-inchikey>VVOIXIDITDXJHG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40020001000000000004000000000000000000000000000000010000000000000040003000000000000010000000002000000100000000000100000000000000000000000000400000000000000000000000000000002000080000800000000000000000000000000000000000000000000000020100000000000000000000000800000040000000000000000000004080000000000000000000080000800000000000000000000000000000080000000040000000002000008000000800000000000000000000000000000100000000080010000000000000000000000000000000000000000001000000000000001000000000000000000000000000000020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������h�������@(������@(������@(������@(������@(������@(�������(�������`�������`������� ������`�������`�������`������� ����#� ���������������� ��h���h���h���h��	h��
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:59:18Z</structure-indexed-at>
</compound>
