303702 <common-name>7-[2-hydroxy-3-[methyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione</common-name> <description>7-[2-hydroxy-3-[methyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the formula C16H24N6O3 and an average molecular weight of 348.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3062552</pubchem-id> <chemical-formula>C16H24N6O3</chemical-formula> <weight>348.4</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">2026-08-28T21:04:20Z</created-at> <updated-at type="dateTime">2026-08-28T21:04:20Z</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)N(C=N2)CC(CN(C)C3=NCCCC3)O</moldb-smiles> <moldb-formula>C16H24N6O3</moldb-formula> <moldb-inchi>InChI=1S/C16H24N6O3/c1-19(12-6-4-5-7-17-12)8-11(23)9-22-10-18-14-13(22)15(24)21(3)16(25)20(14)2/h10-11,23H,4-9H2,1-3H3</moldb-inchi> <moldb-inchikey>XHHPPNKIKSBOJY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">348.1909887</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.3</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>CHEM299595</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>7-[2-hydroxy-3-[methyl(2,3,4,5-tetrahydropyridin-6-yl)amino]propyl]-1,3-dimethylpurine-2,6-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>CED0254877</sync-id> <structure-inchikey>XHHPPNKIKSBOJY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000400000000000800000000000000000000000000000000000100001000000008000000260000000000000002000008000000000000000000000000080000000000000080000000000000002000020000000000400000000000010000010000000010000000000000000004000040020020900000000000000000000008800000040000000000400000000004000100000000014000000000000200000000000100000040000000001080000000000040088090000000000800000000000000000000000000000000000000000000000008000000000200000000000000000000000000000080040000000000020000000000000000000000000000200</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">2026-09-19T05:12:59Z</structure-indexed-at> </compound>