5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
TL;DR: 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione (CAS 69849-33-8) is a chemical compound with molecular formula C7H5FN2O2 and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-prop-2-ynylpyrimidine-2,4-dione
Also Known As: 5-Fluoro-1-propargyl-uracil, 5-fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione, N-1-Propargyl-5-fluorouracil, 5-fluoro-1-prop-2-ynylpyrimidine-2,4-dione, 9-Prop-2-ynyl-1-H-purin-6-ylamine
| Molecular Formula | C7H5FN2O2 |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.03351 |
| Heavy Atoms | 12 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 69849-33-8 |
|---|---|
| SMILES | C#CCN1C=C(C(=O)NC1=O)F |
| InChIKey | GMCOGJQJFDQZCP-UHFFFAOYSA-N |
Product Overview
5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione (CAS 69849-33-8), with molecular formula C7H5FN2O2 and molecular weight 168.03 g/mol. IUPAC: 5-fluoro-1-prop-2-ynylpyrimidine-2,4-dione.
Chemical Property Profile of 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
Property Insights of 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
The XLogP value of -0.4 indicates that 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.4 Ų, 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione has 1 hydrogen bond donor(s) and 3 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-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
The CAS number of 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione is 69849-33-8.
What is the molecular formula of 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
The molecular formula of 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione is C7H5FN2O2.
What is the molecular weight of 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
The molecular weight of 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione is 168.03 g/mol.
Where can I buy 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
You can request a quote for 5-Fluoro-1-(prop-2-yn-1-yl)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-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.