<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">298781</id>
  <title nil="true"/>
  <common-name>9-[3-(dimethylamino)propyl]-1,3-dimethyl-7,8-dihydro-6h-purino[7,8-a]pyrimidine-2,4-dione</common-name>
  <description>9-[3-(dimethylamino)propyl]-1,3-dimethyl-7,8-dihydro-6h-purino[7,8-a]pyrimidine-2,4-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the chemical formula C15H24N6O2 and an average molecular weight of 320.39 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3073434</pubchem-id>
  <chemical-formula>C15H24N6O2</chemical-formula>
  <weight>320.39</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">2026-08-28T15:10:29Z</created-at>
  <updated-at type="dateTime">2026-08-28T15:10:29Z</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>CN1C2=C(C(=O)N(C1=O)C)N3CCCN(C3=N2)CCCN(C)C</moldb-smiles>
  <moldb-formula>C15H24N6O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H24N6O2/c1-17(2)7-5-8-20-9-6-10-21-11-12(16-14(20)21)18(3)15(23)19(4)13(11)22/h5-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>KOBQYLJUPHCZAL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">320.196074</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</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>CHEM294674</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>9-[3-(dimethylamino)propyl]-1,3-dimethyl-7,8-dihydro-6h-purino[7,8-a]pyrimidine-2,4-dione</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>Imidazopyrimidines</klass>
  <subklass>Purines and purine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0250106</sync-id>
  <structure-inchikey>KOBQYLJUPHCZAL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000040000000000000000000000000000000000020000000000000002000008000000000000000000000000480000000000000080000000000000000000028000000000400000000000000000010000000000000000000000000004000000000020140211000000010000000008800000040000010400000001000004000100000000000000000000000200000000000100000000000000400080000000000000080000000008000800000008000000000000000000000000000000000000040008000000000000000000000000000000000000001000000000000010000000001000000000010000000000000</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">2026-09-19T05:09:16Z</structure-indexed-at>
</compound>
