<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297787</id>
  <title nil="true"/>
  <common-name>2-[(2-chlorophenyl)-ethoxymethyl]-5,5-dimethyl-4,6-dihydro-1h-pyrimidine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>118061</pubchem-id>
  <chemical-formula>C15H21ClN2O</chemical-formula>
  <weight>280.79</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">2026-08-28T14:04:05Z</created-at>
  <updated-at type="dateTime">2026-08-28T14:04:05Z</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>CCOC(C1=CC=CC=C1Cl)C2=NCC(CN2)(C)C</moldb-smiles>
  <moldb-formula>C15H21ClN2O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H21ClN2O/c1-4-19-13(11-7-5-6-8-12(11)16)14-17-9-15(2,3)10-18-14/h5-8,13H,4,9-10H2,1-3H3,(H,17,18)</moldb-inchi>
  <moldb-inchikey>ZAHVNERNIHOLHD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">280.134241</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>CHEM293680</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-[(2-chlorophenyl)-ethoxymethyl]-5,5-dimethyl-4,6-dihydro-1h-pyrimidine</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzylethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0249162</sync-id>
  <structure-inchikey>ZAHVNERNIHOLHD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000080000000000000000000000000000000404000000000002000008000000000002002040004000000000010000000000000000000000000000400005000000000000000000000000000100000000001000000000000000000000000000040000004000000000020000000000020000008000000000000048000000800000200000000000000000000100000000024000000020000000000000000000000000080000000000000000000000200100000000000000000000000000000000000000080000000010000000000000000200000000000000000000000000002040000000000000080000000000001000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`������@(������@h�������@h�������@h�������@h�������@(������� ������(�������(�������`������� ������`�������h��������`�������`��������������������h���h���h���h��	h�	
������(�����������������	�h��� B���������	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:08:34Z</structure-indexed-at>
</compound>
