3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide
TL;DR: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide (CAS 1259201-21-2) is a chemical compound with molecular formula C16H17FN4O3S and molecular weight 364.10052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide
Also Known As: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide, 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-(4-fluoro-3-nitrophenyl)propanamide
Technical Specifications
| Molecular Formula | C16H17FN4O3S |
| Molecular Weight | 364.10052 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.10052 Da |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-] |
| InChIKey | NTAOZFYCVJNIOU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide
Property Insights of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide. Following Lipinski's Rule of Five, 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide?
The CAS number of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide is 1259201-21-2.
What is the molecular formula of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide?
The molecular formula of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide is C16H17FN4O3S.
What is the molecular weight of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide?
The molecular weight of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide is 364.10052 g/mol.
Where can I buy 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide?
You can request a quote for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide?
Yes, CoreyChem provides custom synthesis services for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-fluoro-3-nitrophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.