5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 841207-13-4) is a chemical compound with molecular formula C16H18FN3O3 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[C-ethyl-N-[(4-fluorophenyl)methyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-[(4-fluorophenyl)methylamino]propylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-{1-[(4-fluorobenzyl)amino]propylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C16H18FN3O3 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1332 |
| Heavy Atoms | 23 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 841207-13-4 |
|---|---|
| SMILES | CCC(=NCC1=CC=C(C=C1)F)C2=C(N(C(=O)N(C2=O)C)C)O |
| InChIKey | BHQLIYDFJJINJJ-UHFFFAOYSA-N |
Product Overview
5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 841207-13-4), with molecular formula C16H18FN3O3 and molecular weight 319.13 g/mol. IUPAC: 5-[C-ethyl-N-[(4-fluorophenyl)methyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 5 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-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 841207-13-4.
What is the molecular formula of 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C16H18FN3O3.
What is the molecular weight of 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 319.13 g/mol.
Where can I buy 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-((4-fluorobenzyl)amino)propylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.