6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS 26668-96-2) is a chemical compound with molecular formula C12H12FN3O2 and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluoroanilino)-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione, 6-(4-fluoroanilino)-1,3-dimethylpyrimidine-2,4-dione, AI-204/31710042
| Molecular Formula | C12H12FN3O2 |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09135 |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 26668-96-2 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NC2=CC=C(C=C2)F |
| InChIKey | XUQMTGGXEJOSIN-UHFFFAOYSA-N |
Product Overview
6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS 26668-96-2), with molecular formula C12H12FN3O2 and molecular weight 249.09 g/mol. IUPAC: 6-(4-fluoroanilino)-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 52.7 Ų, 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione has 1 hydrogen bond donor(s) and 4 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 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is 26668-96-2.
What is the molecular formula of 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is C12H12FN3O2.
What is the molecular weight of 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is 249.09 g/mol.
Where can I buy 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-fluoroanilino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.