(E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 381701-16-2) is a chemical compound with molecular formula C18H21F3N4O3 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
Also Known As: (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(2-diethylaminoethylamino)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione, (5E)-5-[(2-diethylaminoethylamino)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione, (5Z)-5-({[2-(diethylamino)ethyl]amino}methylidene)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4(3H,5H)-dione, (5Z)-5-[(2-diethylaminoethylamino)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H21F3N4O3 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 2.0109 |
| Topological Polar Surface Area | 90.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1566 |
| Heavy Atoms | 28 |
| Complexity | 959.7689 |
Chemical Identifiers
| CAS Number | 381701-16-2 |
|---|---|
| SMILES | CCN(CC)CCN=CC1=C(N(C(=O)NC1=O)C2=CC=CC(=C2)C(F)(F)F)O |
Product Overview
(E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 381701-16-2), with molecular formula C18H21F3N4O3 and molecular weight 398.16 g/mol. IUPAC: 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
Chemical Property Profile of (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.0109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 90.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 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 (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 381701-16-2.
What is the molecular formula of (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C18H21F3N4O3.
What is the molecular weight of (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 398.16 g/mol.
Where can I buy (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-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 (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(((2-(diethylamino)ethyl)amino)methylene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.