<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">292860</id>
  <title nil="true"/>
  <common-name>5-[[4-(aminomethyl)-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine</common-name>
  <description>5-[[4-(aminomethyl)-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C14H19N5O2 and an average molecular weight of 289.33 g/mol.</description>
  <cas>55687-65-5</cas>
  <pubchem-id>3043550</pubchem-id>
  <chemical-formula>C14H19N5O2</chemical-formula>
  <weight>289.33</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">2026-08-28T08:09:58Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:09:58Z</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>COC1=CC(=CC(=C1CN)OC)CC2=CN=C(N=C2N)N</moldb-smiles>
  <moldb-formula>C14H19N5O2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H19N5O2/c1-20-11-4-8(5-12(21-2)10(11)6-15)3-9-7-18-14(17)19-13(9)16/h4-5,7H,3,6,15H2,1-2H3,(H4,16,17,18,19)</moldb-inchi>
  <moldb-inchikey>CTIGKFIJQOFEBW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">289.1538749</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</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>CHEM288753</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-[[4-(aminomethyl)-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine</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>Methoxybenzenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0244409</sync-id>
  <structure-inchikey>CTIGKFIJQOFEBW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000880000000000000000000000000000000000000000400000000800000000000000000000002000000040000000000000000000000000000000000000000000000000000000400000000000000100000000000000000000000000000000000040000000100000000000000000000000000400000080003000000040080000000000000000000000001004000000000000000000000000000000000000000004000000080000000400020000085000000000000000000180000000002000000000000000000000000000000000000000000820000000000000000000000001000040000000000000000000000020000001000000002000</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���h���h���h���h��� �� ��h��h�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:04:56Z</structure-indexed-at>
</compound>
