| Pubchem ID | 44183999 |
|---|---|
| CAS | 1033366-59-4 |
| IUPAC name | 4-amino-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-one;hydrochloride |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC1=C(SC2=NC(=O)NC(=C12)N)C.Cl |
| InCheykey | InChI=1S/C8H9N3OS.ClH/c1-3-4(2)13-7-5(3)6(9)10-8(12)11-7;/h1-2H3,(H3,9,10,11,12);1H |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 231.698 | 3 | 3 | 0 | 92.8 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |