HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,6-Dimethylpyridin-3-amine
4,6-diMethylpyridin-3-aMine · EOS-60840 · IFLAB-BB F1957-0017 · 4,6-dimethyl-3-pyridinamine · 3-AMINO-4,6-DIMETHYLPYRIDINE · 5-AMINO-2,4-DIMETHYLPYRIDINE · 2,4-dimethyl-5-aminopyridine · 3-PyridinaMine, 4,6-diMethyl-
Identifiers & Physical Properties
| CAS No. | 1193-71-1 |
|---|---|
| Molecular formula | C7H10N2 |
| Average molar mass | 122.17 g/mol |
| Monoisotopic mass | 122.08439832 g/mol |
| SMILES | Cc1cc(C)c(N)cn1 |
| InChIKey | SHSQTJRJQHPJRQ-UHFFFAOYSA-N |
| PubChem CID | 7060669 |
| ChEMBL | CHEMBL4860378 |
| DTXSID | DTXSID90427646 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 38.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 92.9 |
| Melting point | 68 °C |
| Boiling point | 255-257 °C |
| Density | 1.039±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Solubility | DMSO: 24 mg/mL (196.45 mM)Ethanol: 24 mg/mL (196.45 mM)Water: 24 mg/mL (196.45 mM) |
| Physical state | Solid |
| pKa (acidity coefficient) | 7.54±0.18(Predicted) |
| Color | Off-white to yellow |
| CAS DataBase Reference | 1193-71-1(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Hazard symbols | Xi |
| Hazard Note | Irritant |
| Customs code | 2933399990 |
Safety & Regulations
| Customs code | 2933399990 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
3-Amino-4,6-dimethylpyridine is a potent inhibitor of quinolines and thiazolopyridines. It has been shown to be an allosteric inhibitor of cellular quinoline and thiazolopyridine metabolism which leads to its high potency in cells. 3-Amino-4,6-dimethylpyridine selectively inhibits the activity of these enzymes without affecting other metabolic pathways. Oral dosing results in rapid absorption and a half life of about 2 hours.