| Canonical Smiles | CS(=O)(=O)C1=CN=C(N=C1N)C2=CN=CC=C2 |
|---|---|
| IUPAC Name | 5-methylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine |
| InChIKey | ALMCOMVHBIBDCW-UHFFFAOYSA-N |
| INCHI | 1S/C10H10N4O2S/c1-17(15,16)8-6-13-10(14-9(8)11)7-3-2-4-12-5-7/h2-6H,1H3,(H2,11,13,14) |
| Isomeric SMILES | CS(=O)(=O)C1=CN=C(N=C1N)C2=CN=CC=C2 |
| PubChem CID | 1488239 |
| Molecular Weight | 250.28 |
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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 | Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Sulfones Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpyrimidine - Aminopyrimidine - Pyridine - Imidolactam - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen 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 | 250.280 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 250.052 Da |
| Monoisotopic Mass | 250.052 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |
