TL;DR: (E)-1-allyl-5-(1-((3-morpholinopropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1164496-74-5) is a chemical compound with molecular formula C16H24N4O4 and molecular weight 336.17975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-5-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: (E)-1-allyl-5-(1-((3-morpholinopropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-Allyl-5-[1-(3-morpholin-4-yl-propylamino)-eth-(E)-ylidene]-pyrimidine-2,4,6-trione, 5-[1-(3-morpholin-4-ylpropylamino)ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5E)-5-[1-(3-morpholin-4-ylpropylamino)ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C16H24N4O4 |
| Molecular Weight | 336.17975 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.17975 Da |
| Heavy Atoms | 24 |
| Complexity | 564.0 |
| SMILES | CC(=NCCCN1CCOCC1)C2=C(N(C(=O)NC2=O)CC=C)O |
| InChIKey | LXPYGAGTSLSHRA-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that (E)-1-allyl-5-(1-((3-morpholinopropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-allyl-5-(1-((3-morpholinopropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-allyl-5-(1-((3-morpholinopropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-1-allyl-5-(1-((3-morpholinopropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 1164496-74-5.
The molecular formula of (E)-1-allyl-5-(1-((3-morpholinopropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C16H24N4O4.
The molecular weight of (E)-1-allyl-5-(1-((3-morpholinopropyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 336.17975 g/mol.
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