AC1O3BBU structure

AC1O3BBU

1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione

Also Known As: 1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione|(E)-1-(4-chlorophenyl)-5-(1-((2-(piperazin-1-yl)ethyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione|(5E)-1-(4-chlorophenyl)-5-[1-(2-piperazin-1-ylethylamino)ethylidene]-1,3-diazinane-2,4,6-trione

CAS: 577990-61-5
Molecular Formula C18H22ClN5O3
Molecular Weight 391.1411 g/mol
LogP 0.599
Topological Polar Surface Area 102.72 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 391.1411
Monoisotopic Mass 391.1411
Heavy Atoms 27
Complexity 942.94995

Chemical Identifiers

CAS Number 577990-61-5
SMILES CC(=NCCN1CCNCC1)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Cl)O

Product Overview

AC1O3BBU (CAS 577990-61-5), with molecular formula C18H22ClN5O3 and molecular weight 391.1411 g/mol. IUPAC: 1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]pyrimidine-2,4-dione.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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