| Canonical Smiles | C1=C(C=NC=N1)CBr |
|---|---|
| IUPAC Name | 5-(bromomethyl)pyrimidine |
| InChIKey | PPPCEAMFCKQRHG-UHFFFAOYSA-N |
| INCHI | 1S/C5H5BrN2/c6-1-5-2-7-4-8-3-5/h2-4H,1H2 |
| Isomeric SMILES | C1=C(C=NC=N1)CBr |
| Alternate CAS | 25198-96-3 |
| PubChem CID | 14434919 |
| MeSH Entry Terms | 5-(bromomethyl)pyrimidine |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidines and pyrimidine derivatives |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These 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. |
| External Descriptors | Not available |
| Molecular Weight | 173.010 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 171.964 Da |
| Monoisotopic Mass | 171.964 Da |
| Topological Polar Surface Area | 25.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 61.400 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
