336596 <common-name>6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-2-n,4-n-bis(prop-2-enyl)pyrimidine-2,4-diamine</common-name> <description>6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-2-n,4-n-bis(prop-2-enyl)pyrimidine-2,4-diamine is a chemical compound with the formula C23H28N6S. It has an average molecular weight of 420.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3071380</pubchem-id> <chemical-formula>C23H28N6S</chemical-formula> <weight>420.6</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">2026-08-30T19:07:18Z</created-at> <updated-at type="dateTime">2026-08-30T19:07:18Z</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>C=CCNC1=CC(=NC(=N1)NCC=C)N2CCN(CC2)CC3=CC4=CC=CC=C4S3</moldb-smiles> <moldb-formula>C23H28N6S</moldb-formula> <moldb-inchi>InChI=1S/C23H28N6S/c1-3-9-24-21-16-22(27-23(26-21)25-10-4-2)29-13-11-28(12-14-29)17-19-15-18-7-5-6-8-20(18)30-19/h3-8,15-16H,1-2,9-14,17H2,(H2,24,25,26,27)</moldb-inchi> <moldb-inchikey>CQYXINRMTYDXFW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">420.2096161</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM332489</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>6-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]-2-n,4-n-bis(prop-2-enyl)pyrimidine-2,4-diamine</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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287057</sync-id> <structure-inchikey>CQYXINRMTYDXFW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80020800000000000000000002000000000000000000000000000000000000000000000010000002000000100000000000004000000000000000100000000004000000000000000000000800010000600000000000000000000008002000000800000000000100400000000020108000000000000000000000000000000000401901000000000100080000100000100000000002000000000000000000048000000000240088000000080000000000000008000000800000000000000000200000000000000040000000000000000000000040200040000010000000000000001000040000000000000000001004000000000000000000000</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���h���h���h� �h������h���h�B������ ����������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:58Z</structure-indexed-at> </compound>