≥90% 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 | C1=CC=C(C=C1)CNC2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=N4 |
|---|---|
| IUPAC Name | 6-(benzenesulfonylmethyl)-N-benzyl-2-pyridin-2-ylpyrimidin-4-amine |
| InChIKey | HVNVGMWYUUAXPA-UHFFFAOYSA-N |
| INCHI | 1S/C23H20N4O2S/c28-30(29,20-11-5-2-6-12-20)17-19-15-22(25-16-18-9-3-1-4-10-18)27-23(26-19)21-13-7-8-14-24-21/h1-15H,16-17H2,(H,25,26,27) |
| Isomeric SMILES | C1=CC=C(C=C1)CNC2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=N4 |
| PubChem CID | 1471776 |
| Molecular Weight | 416.5 |
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 | Pyridinylpyrimidines |
| Alternative Parents | Benzenesulfonyl compounds Benzylamines Secondary alkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Sulfones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpyrimidine - Benzenesulfonyl group - Benzylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Sulfone - Sulfonyl - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond. |
| External Descriptors | Not available |
| Molecular Weight | 416.500 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 416.131 Da |
| Monoisotopic Mass | 416.131 Da |
| Topological Polar Surface Area | 93.200 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 611.000 |
| 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 |
![N-benzyl-6-[(phenylsulfonyl)methyl]-2-(2-pyridinyl)-4-pyrimidinamine - ≥90% , CAS No.303147-56-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)