78504 <common-name>8-Bromoadenine</common-name> <description>8-Bromoadenine belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the chemical formula C5H4Br1N5 and an average molecular weight of 214.03 g/mol.</description> <cas>6974-78-3</cas> <pubchem-id>81457</pubchem-id> <chemical-formula>C5H4Br1N5</chemical-formula> <weight>214.02</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">2026-04-04T12:35:17Z</created-at> <updated-at type="dateTime">2026-08-22T22:27:16Z</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>NC1=C2NC(Br)=NC2=NC=N1</moldb-smiles> <moldb-formula>C5H4Br1N5</moldb-formula> <moldb-inchi>InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)</moldb-inchi> <moldb-inchikey>FVXHPCVBOXMRJP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">214.026</moldb-average-mass> <moldb-mono-mass type="decimal">212.965008</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>73500</chemspider-id> <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>CHEM074397</chemdb-id> <dsstox-id>DTXSID70220036</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036943</susdat-id> <iupac>8-bromo-7H-purin-6-amine</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">65</paper-count> <sync-id>CED0021772</sync-id> <structure-inchikey>FVXHPCVBOXMRJP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000002000000000000000000003000000000000000000000000000400000000000000000000000000080000000000000000000000000000000800000000000000000000000000800000000200000000000000000000000000000000000000000000000000000000000200000000000001000000000010000000000000000000000000000000000000000080000000000000000085000000000000000002000000000080000000000000100000000000000000000000000004000000000008000200000000001000040000000000001000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���h�������@(������@(������@8�������@(�����#� �����@(������@(������@(������@h�������@(�������� ��h���h���h������h���h���h�� h� h� �h���h�B������ �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:57Z</structure-indexed-at> </compound>