Ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CED0269169)

Record Information
Version1.0
Creation Date2026-08-29 16:38:22 UTC
Update Date2026-08-29 16:38:22 UTC
Accession NumberCHEM314259
Identification
Common NameEthyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
ClassSmall Molecule
Description
Ethyl 6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is a chemical compound with the formula C19H23BrN2O5 and an average molecular weight of 439.30 g/mol. It has been identified in or released from one recorded source: Electrical & Electronic Equipment (Amplifiers).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H23BrN2O5
Average Molecular MassNot Available
Monoisotopic Mass438.079 g/mol
CAS Registry Number1010820-68-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Br)CCCC(=O)OC)C
InChI IdentifierInChI=1S/C19H23BrN2O5/c1-4-27-18(24)16-12(2)22(11-5-6-15(23)26-3)19(25)21-17(16)13-7-9-14(20)10-8-13/h7-10,17H,4-6,11H2,1-3H3,(H,21,25)
InChI KeyYFZRMRYVWWUQME-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3832.0Log mg/kg[2200:6800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
505AmplifiersElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)808.075
Click to view 3D structureSodium/iodide cotransporterQ63008Rattus norvegicusPredicted (SEA)7.31783
Click to view 3D structureLong-chain fatty acid transport protein 4Q6P1M0HumansPredicted (SEA)3.65891
Click to view 3D structure2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, chloroplasticQ9CAK8Arabidopsis thalianaPredicted (SEA)1.79053
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 structureClick to view 3D structurePeptidyl-prolyl cis-trans isomerase NIMA-interacting 4Q9Y237HumansPredicted (SEA)4.67095
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)480.018
Neutrophil elastase structureClick to view 3D structureNeutrophil elastaseP08246HumansPredicted (SEA)139.661
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)925.549
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)3347.75
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)2684.63
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)699.397
Click to view 3D structureSphingomyelin phosphodiesterase 2O70572Mus musculusPredicted (SEA)10.1204
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)685.852
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)3810.56
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)694.415
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)460.4
Pyruvate carboxylase structureClick to view 3D structurePyruvate carboxylaseA0A0H3JRU9Staphylococcus aureus (strain Mu50 / ATCC 700699)Predicted (SEA)16.0369
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)5.3716
Click to view 3D structure2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthaseP9WKG5Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)2.64687
Click to view 3D structureTumor necrosis factor receptor superfamily member 6Q63199Rattus norvegicusPredicted (SEA)7.55137
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)2524.96
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)3179.67
DNA dC->dU-editing enzyme APOBEC-3G structureClick to view 3D structureDNA dC->dU-editing enzyme APOBEC-3GQ9HC16HumansPredicted (SEA)53.2489
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)884.445
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)912.159
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available