5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione (CAS 774-17-4) is a chemical compound with molecular formula C5H2F4N2O2 and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, 5-Fluoro-6-(trifluoromethyl)uracil, 5-fluoro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, 5-Fluor-6-trifluormethyl-1H-pyrimidin-2,4-dion, 5-FLUORO-6-(TRIFLUOROMETHYL)PYRIMIDINE-2,4-DIOL
| Molecular Formula | C5H2F4N2O2 |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.00523 |
| Heavy Atoms | 13 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 774-17-4 |
|---|---|
| SMILES | C1(=C(NC(=O)NC1=O)C(F)(F)F)F |
| InChIKey | SYDOHCYITLXONW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione (CAS 774-17-4), with molecular formula C5H2F4N2O2 and molecular weight 198.01 g/mol. IUPAC: 5-fluoro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 6 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 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione is 774-17-4.
What is the molecular formula of 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione is C5H2F4N2O2.
What is the molecular weight of 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione is 198.01 g/mol.
Where can I buy 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.