286890 <common-name>7-(4-amino-2-chlorophenyl)-1,3-dimethylpurine-2,6-dione</common-name> <description>7-(4-amino-2-chlorophenyl)-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 C13H12ClN5O2 and an average molecular weight of 305.72 g/mol.</description> <cas>72898-65-8</cas> <pubchem-id>100676</pubchem-id> <chemical-formula>C13H12ClN5O2</chemical-formula> <weight>305.72</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">2026-08-27T23:11:57Z</created-at> <updated-at type="dateTime">2026-08-27T23:11:57Z</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)C3=C(C=C(C=C3)N)Cl</moldb-smiles> <moldb-formula>C13H12ClN5O2</moldb-formula> <moldb-inchi>InChI=1S/C13H12ClN5O2/c1-17-11-10(12(20)18(2)13(17)21)19(6-16-11)9-4-3-7(15)5-8(9)14/h3-6H,15H2,1-2H3</moldb-inchi> <moldb-inchikey>KZSNKELONYOZRJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">305.0679523</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM282783</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-(4-amino-2-chlorophenyl)-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>CED0238678</sync-id> <structure-inchikey>KZSNKELONYOZRJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000800004000000000000000000000000000000000000000000000000000000000020000000000002002000008000000000000000000000000080000000000400480000000000000000000120000000000000800000000000000010000000000000000000000000100080000000000900100000000000000000008000000040000000000000000000004000009000000010000000000000200000000100100000000000000000080000000000000080084000000000000000000000000000000000000000000000000000000010008000000000000200000000000000000000000000000040000080001000000000000000000000000000000000</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�B������������� ��������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:24Z</structure-indexed-at> </compound>