88817 <common-name>7-[3-(Benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione</common-name> <description>7-[3-(Benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the formula C17H21N5O2 and an average molecular weight of 327.39 g/mol.</description> <cas>24890-70-8</cas> <pubchem-id>90641</pubchem-id> <chemical-formula>C17H21N5O2</chemical-formula> <weight>327.4</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">2026-04-04T23:18:33Z</created-at> <updated-at type="dateTime">2026-08-29T02:24:00Z</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(N(CCCNCC3=CC=CC=C3)C=N2)C(=O)N(C)C1=O</moldb-smiles> <moldb-formula>C17H21N5O2</moldb-formula> <moldb-inchi>InChI=1/C17H21N5O2/c1-20-15-14(16(23)21(2)17(20)24)22(12-19-15)10-6-9-18-11-13-7-4-3-5-8-13/h3-5,7-8,12,18H,6,9-11H2,1-2H3</moldb-inchi> <moldb-inchikey>OVKWXBYMGXFCRZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">327.388</moldb-average-mass> <moldb-mono-mass type="decimal">327.1695249</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.9</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>CHEM084710</chemdb-id> <dsstox-id>DTXSID60179589</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00049622</susdat-id> <iupac>7-[3-(benzylamino)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">0</paper-count> <sync-id>CED0185456</sync-id> <structure-inchikey>OVKWXBYMGXFCRZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000800010000000000000000000000000000004000000010000000000000020000000000000002004008000000000000000000000000080000000000000080200000000000000020020001000000000000000000000000010000000000000000000000000000000000000000900000000000000000800008000000040200000800000000000004080000000000110000000000000200000000000100000000000000003080000000000000088090000000000000000000000000000000000000000000000000000000000008000000000000220000000000000000000000000000040000000010000000000000000000200000000000000</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���(���h������h���(���h���h�� h�B�������������� �� ����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:20Z</structure-indexed-at> </compound>