| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:16:17 UTC |
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| Updated at | 2021-01-04 20:37:42 UTC |
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| CannabisDB ID | CDB005395 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Trimethyl pyrimidines |
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| Description | 2,4,6-Trimethylpyrimidine, a trimethylated derivative of pyrimidine, belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. 2,4,6-trimethylpyrimidine is one of the trimethyl pyrimidine isomers and consists of a pyrimidine ring substituted with three methyl groups at different positions on the ring. Pyrimidines and pyrimidine derivatives are compounds containing a pyrimidine ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms. 2,4,6-trimethylpyrimidine is a strong basic compound. 2,4,6-trimethylpyrimidine is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C7H10N2 |
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| Average Molecular Weight | 122.17 |
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| Monoisotopic Molecular Weight | 122.0844 |
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| IUPAC Name | 2,4,6-trimethylpyrimidine |
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| Traditional Name | 2,4,6-trimethylpyrimidine |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=CC(C)=NC(C)=N1 |
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| InChI Identifier | InChI=1S/C7H10N2/c1-5-4-6(2)9-7(3)8-5/h4H,1-3H3 |
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| InChI Key | HCATUIMBJIDQDT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. Pyrimidines and pyrimidine derivatives are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazines |
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| Sub Class | Pyrimidines and pyrimidine derivatives |
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| Direct Parent | Pyrimidines and pyrimidine derivatives |
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| Alternative Parents | |
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| Substituents | - Pyrimidine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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