for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CNC1=NC(=C(C(=N1)Cl)SC)NCC2=CC(=CC=C2)OC |
|---|---|
| IUPAC Name | 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine |
| InChIKey | LDRLAXKODINQOR-UHFFFAOYSA-N |
| INCHI | 1S/C14H17ClN4OS/c1-16-14-18-12(15)11(21-3)13(19-14)17-8-9-5-4-6-10(7-9)20-2/h4-7H,8H2,1-3H3,(H2,16,17,18,19) |
| Isomeric SMILES | CNC1=NC(=C(C(=N1)Cl)SC)NCC2=CC(=CC=C2)OC |
| PubChem CID | 1475484 |
| Molecular Weight | 324.83 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Benzylamines Secondary alkylarylamines Alkyl aryl ethers Alkylarylthioethers Aminopyrimidines and derivatives Halopyrimidines Imidolactams Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anisole - Benzylamine - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Halopyrimidine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Heteroaromatic compound - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Ether - Azacycle - Organic nitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 324.800 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 324.081 Da |
| Monoisotopic Mass | 324.081 Da |
| Topological Polar Surface Area | 84.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 313.000 |
| 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 |
