Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% 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.
| ALogP | 0.221 |
|---|---|
| hba_count | 4 |
| Recuento HBD | 2 |
| Enlace rotable | 9 |
| Pubchem Sid | 504762279 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762279 |
| Sonrisas canónicas | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C |
| IUPAC Name | N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide |
| InChIKey | JTLXCMOFVBXEKD-FOWTUZBSSA-N |
| INCHI | 1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)/b16-12+ |
| Isómeros SMILES | CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SSCC2CCCO2)/C |
| Peso molecular | 398.54 |
| Reaxy-Rn | 10112297 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10112297&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 |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydropyrimidines |
| Alternative Parents | Imidolactams Tetrahydrofurans Tertiary carboxylic acid amides Heteroaromatic compounds Organic disulfides Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydropyrimidine - Imidolactam - Tertiary carboxylic acid amide - Tetrahydrofuran - Heteroaromatic compound - Carboxamide group - Organic disulfide - Carboxylic acid derivative - Dialkyl ether - Ether - Sulfenyl compound - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.). |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jan 05, 2026 | F413548 | |
| Certificate of Analysis | Jan 04, 2026 | F413548 | |
| Certificate of Analysis | Jan 04, 2026 | F413548 | |
| Certificate of Analysis | Dec 12, 2025 | F413548 | |
| Certificate of Analysis | Sep 30, 2022 | F413548 | |
| Certificate of Analysis | Sep 30, 2022 | F413548 |
| DMSO (mg/ml) Solubilidad máxima | 80 |
|---|---|
| DMSO (mM) Solubilidad máxima | 200.732674261053 |
| Agua (mg/ml) Solubilidad máxima | 3 |
| Agua (mM) Solubilidad máxima | 7.52747528478948 |
| Peso molecular | 398.500 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 398.145 Da |
| Monoisotopic Mass | 398.145 Da |
| Topological Polar Surface Area | 152.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |