Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- (CHEM064680)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 13:27:00 UTC | ||||||||
| Update Date | 2026-08-22 21:54:39 UTC | ||||||||
| Accession Number | CHEM064680 | ||||||||
| Identification | |||||||||
| Common Name | Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- belongs to the organic nitro compounds, a subclass of allyl-type 1,3-dipolar organic compounds within the organic compounds. It has the chemical formula C5H3Cl2N3O2 and an average molecular weight of 208.00 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C5H3Cl2N3O2 | ||||||||
| Average Molecular Mass | 208.000 g/mol | ||||||||
| Monoisotopic Mass | 206.960 g/mol | ||||||||
| CAS Registry Number | 13162-43-1 | ||||||||
| IUPAC Name | 4,6-dichloro-2-methyl-5-nitropyrimidine | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NC(Cl)=C(C(Cl)=N1)[N+]([O-])=O | ||||||||
| InChI Identifier | InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3 | ||||||||
| InChI Key | OPXGPTXSLFZVCA-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic 1,3-dipolar compounds | ||||||||
| Class | Allyl-type 1,3-dipolar organic compounds | ||||||||
| Sub Class | Organic nitro compounds | ||||||||
| Direct Parent | Nitroaromatic compounds | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 83192 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
