≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| pKa | pKₐ: 5.95 (Predicted) |
|---|
| Pubchem Sid | 504762277 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762277 |
| Canonical Smiles | CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCO)C |
| IUPAC Name | N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide |
| InChIKey | GFEGEDUIIYDMOX-YHARCJFQSA-N |
| INCHI | 1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15+,22-16+ |
| Isomeric SMILES | CC1=NC=C(C(=N1)N)CN(/C(=C(/SS/C(=C(/N(C=O)CC2=CN=C(N=C2N)C)\C)/CCO)\CCO)/C)C=O |
| RTECS | LQ2715000 |
| PubChem CID | 3001376 |
| Molecular Weight | 562.71 |
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 | Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Organic disulfides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Organic disulfide - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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 | aminopyrimidine |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2307080 | Certificate of Analysis | Jun 15, 2026 | T331685 |
| I2307079 | Certificate of Analysis | Aug 17, 2023 | T331685 |
| I2307081 | Certificate of Analysis | Aug 17, 2023 | T331685 |
| I2307082 | Certificate of Analysis | Aug 17, 2023 | T331685 |
| I2307083 | Certificate of Analysis | Aug 17, 2023 | T331685 |
| I2307090 | Certificate of Analysis | Aug 17, 2023 | T331685 |
| I2307199 | Certificate of Analysis | Aug 17, 2023 | T331685 |
| I2307200 | Certificate of Analysis | Aug 17, 2023 | T331685 |
| I2307237 | Certificate of Analysis | Aug 17, 2023 | T331685 |
| Solubility | Soluble in ether (very slightly ), ethanol (very slightly ), acetone (very slightly ), and benzene (very slightly ). |
|---|---|
| Refractive Index | n20D1.67 (Predicted) |
| Boil Point(°C) | ~886.1° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 177° C |
| Molecular Weight | 562.700 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 13 |
| Exact Mass | 562.214 Da |
| Monoisotopic Mass | 562.214 Da |
| Topological Polar Surface Area | 235.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 767.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
