<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">278271</id>
  <title nil="true"/>
  <common-name>2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol</common-name>
  <description>2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. It is an organoheterocyclic compound with the formula C10H14Br2ClN3O and an average molecular weight of 387.50 g/mol.</description>
  <cas>85826-40-0</cas>
  <pubchem-id>3070105</pubchem-id>
  <chemical-formula>C10H14Br2ClN3O</chemical-formula>
  <weight>387.5</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">2026-08-26T18:12:28Z</created-at>
  <updated-at type="dateTime">2026-08-26T18:12:28Z</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>CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)NCCO</moldb-smiles>
  <moldb-formula>C10H14Br2ClN3O</moldb-formula>
  <moldb-inchi>InChI=1S/C10H14Br2ClN3O/c1-6-15-9(13)8(4-7(12)5-11)10(16-6)14-2-3-17/h7,17H,2-5H2,1H3,(H,14,15,16)</moldb-inchi>
  <moldb-inchikey>CSTQNFUDUSOIRH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">384.91921</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM274164</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-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol</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>Diazines</klass>
  <subklass>Pyrimidines and pyrimidine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0230367</sync-id>
  <structure-inchikey>CSTQNFUDUSOIRH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000001800000000000000000000000000200000002000000100000000000000000000010800000002000000000000000000000004000000000000000040000400000000000000000000000001000000000080010800000000000000000010000001400000000000000000000000000000000000000000000000000000040000000000000000200000080000000000100000000000000000000080000000000000000000010080000000080000100020000000000000000000000000000000000010000000000000000000010200000002000000000000000000800000000000001000000000000000001000000000000000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>410000000102020080000000a18820800008040002052000003420400210000c4402007500800000000001080088400004200024008c30010000c43002a44001c4110400020004000090108000620080000001905220013240000422000081080c282406004002000c00000054340201200280300101e0041198080242110002004001080c4000280800120008880018113c0012440034820400082080400080805320000000c00000000840016c233002c800008841084010000200084002300100000404400216018000000401128005080000420840000d08020008000102001008100201002000000012010220000010001080400002000000005b100402</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@(������@(������� ������`�������`�������`�����#� ����#� ������h��������`�������`�������`�����������h���h���h���h���h��������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:53:50Z</structure-indexed-at>
</compound>
