319555 <common-name>2-n-benzyl-6-chloro-4-n-[2-(diethylamino)ethyl]-2-n-methyl-5-methylsulfanylpyrimidine-2,4-diamine</common-name> <description>2-n-benzyl-6-chloro-4-n-[2-(diethylamino)ethyl]-2-n-methyl-5-methylsulfanylpyrimidine-2,4-diamine is a compound with the formula C19H28ClN5S. It has an average molecular weight of 394.00 g/mol.</description> <cas nil="true"/> <pubchem-id>3043354</pubchem-id> <chemical-formula>C19H28ClN5S</chemical-formula> <weight>394</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">2026-08-29T18:13:17Z</created-at> <updated-at type="dateTime">2026-08-29T18:13:17Z</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>CCN(CC)CCNC1=C(C(=NC(=N1)N(C)CC2=CC=CC=C2)Cl)SC</moldb-smiles> <moldb-formula>C19H28ClN5S</moldb-formula> <moldb-inchi>InChI=1S/C19H28ClN5S/c1-5-25(6-2)13-12-21-18-16(26-4)17(20)22-19(23-18)24(3)14-15-10-8-7-9-11-15/h7-11H,5-6,12-14H2,1-4H3,(H,21,22,23)</moldb-inchi> <moldb-inchikey>ZWEZTCRORXPYTM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">393.1753948</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM315448</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>2-n-benzyl-6-chloro-4-n-[2-(diethylamino)ethyl]-2-n-methyl-5-methylsulfanylpyrimidine-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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0270325</sync-id> <structure-inchikey>ZWEZTCRORXPYTM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000004000100000000002000080000010000000002004200000000000000000000000000010000000000000400000000000000800000000001000000000080000000000000000000000000000002000000000004000000000000800000200000000000000000800000040200000800400000000001080140000000100000000000000000000000000040000000000000000080000000080000100000000000000000000000000000000000000000020000000000000000010000000081004000220000000000000000000000009000040000000000000000021000000040000000080000000</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�B������ �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:24:51Z</structure-indexed-at> </compound>