2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride
TL;DR: 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride (CAS 1049784-51-1) is a chemical compound with molecular formula C12H22ClN3O2S and molecular weight 307.11212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-(2-methylpropyl)-1H-pyrimidin-6-one;hydrochloride
Also Known As: 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride, 2-(2-dimethylaminoethylsulfanyl)-4-hydroxy-5-(2-methylpropyl)-1H-pyrimidin-6-one hydrochloride, 2-(2-dimethylaminoethylsulfanyl)-6-hydroxy-5-(2-methylpropyl)-3H-pyrimidin-4-one Hydrochloride
Technical Specifications
| Molecular Formula | C12H22ClN3O2S |
| Molecular Weight | 307.11212 g/mol |
| XLogP | 1.7495 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.11212 Da |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
| SMILES | CC(C)CC1=C(N=C(NC1=O)SCCN(C)C)O.Cl |
| InChIKey | AWRWZKBDLFKXIW-UHFFFAOYSA-N |
Chemical Property Profile of 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride
Property Insights of 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride
The XLogP value of 1.7495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride. Following Lipinski's Rule of Five, 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride?
The CAS number of 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride is 1049784-51-1.
What is the molecular formula of 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride?
The molecular formula of 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride is C12H22ClN3O2S.
What is the molecular weight of 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride?
The molecular weight of 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride is 307.11212 g/mol.
Where can I buy 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride?
You can request a quote for 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.