![2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol structure](/static/products/439/439126-31-5.webp)
2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol
TL;DR: 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol (CAS 439126-31-5) is a chemical compound with molecular formula C16H21N3O2S and molecular weight 319.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(diethylamino)ethylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
Also Known As: BAS 01339769, IDI1_003778, 2-{[2-(diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol, 2-((2-(diethylamino)ethyl)thio)-6-hydroxy-5-phenylpyrimidin-4(3H)-one, 2-(2-Diethylamino-ethylsulfanyl)-6-hydroxy-5-phenyl-3H-pyrimidin-4-one
Technical Specifications
| Molecular Formula | C16H21N3O2S |
| Molecular Weight | 319.13544 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.13544 Da |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
| SMILES | CCN(CC)CCSC1=NC(=C(C(=O)N1)C2=CC=CC=C2)O |
| InChIKey | FCNXYQHSFIHRCN-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol
Property Insights of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-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-phenylpyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-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
What is the CAS number of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol?
The CAS number of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol is 439126-31-5.
What is the molecular formula of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol?
The molecular formula of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol is C16H21N3O2S.
What is the molecular weight of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol?
The molecular weight of 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol is 319.13544 g/mol.
Where can I buy 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol?
You can request a quote for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol?
Yes, CoreyChem provides custom synthesis services for 2-{[2-(Diethylamino)ethyl]sulfanyl}-5-phenylpyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.