≥98% 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.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=C(C=CC(=C3F)F)OC |
|---|---|
| IUPAC Name | tert-butyl 4-[[4-amino-5-(2,3-difluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate |
| InChIKey | JVCXCFYGHOKTCH-UHFFFAOYSA-N |
| INCHI | 1S/C22H27F2N5O4/c1-22(2,3)33-21(31)29-9-7-12(8-10-29)27-20-26-11-13(19(25)28-20)18(30)16-15(32-4)6-5-14(23)17(16)24/h5-6,11-12H,7-10H2,1-4H3,(H3,25,26,27,28) |
| Peso molecular | 463.500 |
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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Piperidinecarboxylic acids Pyrimidinecarboxylic acids and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Aminopyrimidines and derivatives Secondary alkylarylamines Aryl fluorides Imidolactams Vinylogous halides Heteroaromatic compounds Carbamate esters Vinylogous amides Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Pyrimidine-5-carboxylic acid or derivatives - Piperidinecarboxylic acid - Phenoxy compound - Phenol ether - Benzoyl - Methoxybenzene - Anisole - Fluorobenzene - Halobenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Aryl halide - Aryl fluoride - Piperidine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Carbamic acid ester - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Secondary amine - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 463.500 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 463.203 Da |
| Monoisotopic Mass | 463.203 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 686.000 |
| 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 |
