(E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164554-08-8) is a chemical compound with molecular formula C18H15FN4O3 and molecular weight 354.11282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-aminophenyl)iminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(3-aminoanilino)methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione, (5E)-5-[(3-aminoanilino)methylidene]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione, (5E)-5-{[(3-aminophenyl)amino]methylidene}-3-(4-fluorobenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Technical Specifications
| Molecular Formula | C18H15FN4O3 |
| Molecular Weight | 354.11282 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11282 Da |
| Heavy Atoms | 26 |
| Complexity | 614.0 |
| SMILES | C1=CC(=CC(=C1)N=CC2=C(N(C(=O)NC2=O)CC3=CC=C(C=C3)F)O)N |
| InChIKey | VETJYCXUDMQLPB-UHFFFAOYSA-N |
Chemical Property Profile of (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 1164554-08-8.
What is the molecular formula of (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C18H15FN4O3.
What is the molecular weight of (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 354.11282 g/mol.
Where can I buy (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, CoreyChem provides custom synthesis services for (E)-5-(((3-aminophenyl)amino)methylene)-1-(4-fluorobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.