![2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol structure](/static/products/439/439126-27-9.png)
2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol
TL;DR: 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol (CAS 439126-27-9) is a chemical compound with molecular formula C12H21N3O2S and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: BAS 01811586, 2-{[2-(diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol, 2-((2-(diethylamino)ethyl)thio)-5-ethyl-6-hydroxypyrimidin-4(3H)-one, 2-(2-Diethylamino-ethylsulfanyl)-5-ethyl-6-hydroxy-3H-pyrimidin-4-one, 2-(2-diethylaminoethylsulfanyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
| Molecular Formula | C12H21N3O2S |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.13544 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 439126-27-9 |
|---|---|
| SMILES | CCC1=C(N=C(NC1=O)SCCN(CC)CC)O |
| InChIKey | ZLHRSEYKNBSWBC-UHFFFAOYSA-N |
Product Overview
2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol (CAS 439126-27-9), with molecular formula C12H21N3O2S and molecular weight 271.14 g/mol. IUPAC: 2-[2-(diethylamino)ethylsulfanyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol
Property Insights of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol 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-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol?
The CAS number of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol is 439126-27-9.
What is the molecular formula of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol?
The molecular formula of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol is C12H21N3O2S.
What is the molecular weight of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol?
The molecular weight of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol is 271.14 g/mol.
Where can I buy 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol?
You can request a quote for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-ethylpyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.