≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504772159 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772159 |
| Canonical Smiles | CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)N4CCNCC4 |
| IUPAC Name | 2-[[5-chloro-2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide |
| InChIKey | FCLOIQHNUARDSR-UHFFFAOYSA-N |
| INCHI | 1S/C22H24ClN7O/c1-24-21(31)17-4-2-3-5-19(17)28-20-18(23)14-26-22(29-20)27-15-6-8-16(9-7-15)30-12-10-25-11-13-30/h2-9,14,25H,10-13H2,1H3,(H,24,31)(H2,26,27,28,29) |
| Isomeric SMILES | CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)N4CCNCC4 |
| Molecular Weight | 437.93 |
| Reaxy-Rn | 23621402 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23621402&ln= |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Benzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Halopyrimidines Aryl chlorides Imidolactams Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organooxygen compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Imidolactam - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Azacycle - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2218283 | Certificate of Analysis | Sep 04, 2025 | C302882 |
| K2218284 | Certificate of Analysis | Sep 04, 2025 | C302882 |
| K2218288 | Certificate of Analysis | Sep 04, 2025 | C302882 |
| K2218366 | Certificate of Analysis | Sep 04, 2025 | C302882 |
| K2218367 | Certificate of Analysis | Sep 04, 2025 | C302882 |
| Molecular Weight | 437.900 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 437.173 Da |
| Monoisotopic Mass | 437.173 Da |
| Topological Polar Surface Area | 94.200 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 568.000 |
| 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 |
