≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COCCCNC1=NC(=NC=C1F)Cl |
|---|---|
| IUPAC Name | 2-chloro-5-fluoro-N-(3-methoxypropyl)pyrimidin-4-amine |
| InChIKey | DOKWWVFCAIHXOO-UHFFFAOYSA-N |
| INCHI | 1S/C8H11ClFN3O/c1-14-4-2-3-11-7-6(10)5-12-8(9)13-7/h5H,2-4H2,1H3,(H,11,12,13) |
| Isomeric SMILES | COCCCNC1=NC(=NC=C1F)Cl |
| PubChem CID | 56763782 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Aminopyrimidines and derivatives |
| Alternative Parents | Secondary alkylarylamines 2-halopyrimidines Imidolactams Aryl fluorides Aryl chlorides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Halopyrimidine - 2-halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Heteroaromatic compound - Ether - Dialkyl ether - Secondary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 219.640 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 219.057 Da |
| Monoisotopic Mass | 219.057 Da |
| Topological Polar Surface Area | 47.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| 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 |
