N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[(e)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide (CED0111824)

Record Information
Version1.0
Creation Date2026-08-19 12:39:04 UTC
Update Date2026-08-19 12:39:04 UTC
Accession NumberCHEM186186
Identification
Common NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[(e)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
ClassSmall Molecule
Description
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-[(e)-5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This organic compound has the chemical formula C15H24N4O2S2 and an average molecular weight of 356.50 g/mol. The substance is found in or released from eight recorded sources. Within the category of Electrical & Electronic Equipment, it is associated with auxiliary devices, cores yokes or armatures, emergency protective devices, magnets, superconducting magnets and superconducting coils, and one additional source. In the Building & Construction sector, it is linked to tents or canopies. Additionally, it is recorded in relation to food, food processing & cookware, specifically regarding the preparation of wine or sparkling wine.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC15H24N4O2S2
Average Molecular Mass356.500 g/mol
Monoisotopic Mass356.134 g/mol
CAS Registry Number1086824-76-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C15H24N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)/b14-11+
InChI KeyUDCIYVVYDCXLSX-SDNWHVSQSA-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
1863.0Log mg/kg[1000:3300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
540X Ray TubesElectrical & Electronic EquipmentNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
625Racing SportsRecreation & sports surfacesNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-glucuronidaseP12265Mus musculusPredicted (SEA)130.787
Click to view 3D structureThiamine transporter ThiTA2RI47Lactococcus lactis subsp. cremoris (strain MG1363)Predicted (SEA)27.4808
Click to view 3D structureAminodeoxyfutalosine nucleosidaseQ9ZMY2Helicobacter pylori (strain J99 / ATCC 700824) (Campylobacter pylori J99)Predicted (SEA)111.714
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7717.74
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)7672.12
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7748.02
A disintegrin and metalloproteinase with thrombospondin motifs 4 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 4O75173HumansPredicted (SEA)6096.53
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7740.24
Pyridoxine-5'-phosphate oxidase structureClick to view 3D structurePyridoxine-5'-phosphate oxidaseQ9NVS9HumansPredicted (SEA)78.0828
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7737.04
Click to view 3D structureUridine phosphorylase 1P52624Mus musculusPredicted (SEA)633.771
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)3832.59
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7697.19
Peptide deformylase structureClick to view 3D structurePeptide deformylaseP9WIJ3Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)1552.86
Click to view 3D structurePyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrialP29804Sus scrofaPredicted (SEA)291.234
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)6368.61
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)7174.19
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7668.07
Click to view 3D structureDihydrofolate reductaseQ920D2Rattus norvegicusPredicted (SEA)3965.25
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)7657.64
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)7277.35
Click to view 3D structureHistidine biosynthesis bifunctional protein HisBP06987Escherichia coli O26:H11 str. CFSAN001629Predicted (SEA)93.1855
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)7694.46
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)7709.41
Click to view 3D structureMitogen-activated protein kinase kinase kinase kinase 2Q12851HumansPredicted (SEA)7607.74
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available