308087 <common-name>8-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3,7-trimethylpurine-2,6-dione</common-name> <description>8-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3,7-trimethylpurine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the chemical formula C17H21N5O3 and an average molecular weight of 343.40 g/mol.</description> <cas>106478-67-5</cas> <pubchem-id>60148</pubchem-id> <chemical-formula>C17H21N5O3</chemical-formula> <weight>343.4</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">2026-08-29T02:24:40Z</created-at> <updated-at type="dateTime">2026-08-29T02:24:40Z</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>CC(C(C1=CC=CC=C1)O)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C</moldb-smiles> <moldb-formula>C17H21N5O3</moldb-formula> <moldb-inchi>InChI=1S/C17H21N5O3/c1-10(13(23)11-8-6-5-7-9-11)18-16-19-14-12(20(16)2)15(24)22(4)17(25)21(14)3/h5-10,13,23H,1-4H3,(H,18,19)</moldb-inchi> <moldb-inchikey>NYGMAEUJKDAYMA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">343.1644396</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</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>CHEM303980</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>8-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3,7-trimethylpurine-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>CED0259118</sync-id> <structure-inchikey>NYGMAEUJKDAYMA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000010000040000000000000008100000000000001000400020000000080000002004008000000000000000000000000480000000000400080000000200000000000020000000002000000000000000000010000000110000000000000000000200000000000100000000000000000000008000000040000000800000000000004080000000000100000000000000200000000000100001000000000400080000000000000088000000000000000000000000000000000400000000000000000000000000008000000000000200000000000000000000000001000040000000000000000000000000000000000000000000</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">2026-09-19T05:16:04Z</structure-indexed-at> </compound>