Completing data — usually done within a minute
Basic information
- Standard SMILES
Cc1cc(C)c(N)cn1- InChIKey
SHSQTJRJQHPJRQ-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.171 g/mol
- Monoisotopic mass
- 122.08439832
Names & identifiers
- Preferred name
- 4,6-Dimethylpyridin-3-amine
- IUPAC
- 4,6-Dimethylpyridin-3-amine
- English name
- 3-Amino-4,6-dimethylpyridine
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
4,6-diMethylpyridin-3-aMineEOS-60840IFLAB-BB F1957-00174,6-dimethyl-3-pyridinamine3-AMINO-4,6-DIMETHYLPYRIDINE5-AMINO-2,4-DIMETHYLPYRIDINE2,4-dimethyl-5-aminopyridine3-PyridinaMine, 4,6-diMethyl-3-Amino-4,6-dimethylpyridine 97%5-Amino-2,4-dimethylpyridine 97%
Database identifiers
- CAS
1193-71-1- PubChem CID
- 7060669
- DTXSID
DTXSID90427646- ChEMBL
CHEMBL4860378- Nikkaji
- J3.777.892C
Properties
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 255 · 255-257 °C
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- 24 mg/mL · DMSO: 24 mg/mL (196.45 mM);Ethanol: 24 mg/mL (196.45 mM)
- form
- Solid
- pka
- 7.54 · 7.54±0.18(Predicted)
- color
- Off-white to yellow
- Water Solubility
- 24 mg/mL · Water: 24 mg/mL (196.45 mM)
- CAS DataBase Reference
- 1193 · 1193-71-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-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.
Upstream & downstream products
Upstream raw materials
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Related reactions
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