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 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H22ClN3O2S |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 1.7495 |
| Topological Polar Surface Area | 69.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.11212 |
| Heavy Atoms | 19 |
| Complexity | 449.0909 |
Chemical Identifiers
| CAS Number | 1049784-51-1 |
|---|---|
| SMILES | CC(C)CC1=C(N=C(NC1=O)SCCN(C)C)O.Cl |
Product Overview
2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride (CAS 1049784-51-1), with molecular formula C12H22ClN3O2S and molecular weight 307.11 g/mol. IUPAC: 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-(2-methylpropyl)-1H-pyrimidin-6-one;hydrochloride.
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 69.22 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 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 307.11 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isobutylpyrimidin-4(3H)-one hydrochloride?
Yes, KEHONG BIO 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.