≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC(=NC(=C2)NC3CC3)SC |
|---|---|
| IUPAC Name | tert-butyl 4-[[6-(cyclopropylamino)-2-methylsulfanylpyrimidin-4-yl]amino]piperidine-1-carboxylate |
| InChIKey | AZFYJGIWSVCDCL-UHFFFAOYSA-N |
| INCHI | 1S/C18H29N5O2S/c1-18(2,3)25-17(24)23-9-7-13(8-10-23)20-15-11-14(19-12-5-6-12)21-16(22-15)26-4/h11-13H,5-10H2,1-4H3,(H2,19,20,21,22) |
| Molecular Weight | 379.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | Secondary alkylarylamines Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Heteroaromatic compounds Carbamate esters Tertiary amines Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - Aryl thioether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Pyrimidine - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Secondary amine - Azacycle - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 379.500 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 379.204 Da |
| Monoisotopic Mass | 379.204 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 475.000 |
| 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 |
