TL;DR: (5E)-3-butyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione (CAS 1164480-48-1) is a chemical compound with molecular formula C16H27N3O3 and molecular weight 309.20523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-5-(N-hexyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-butyl-5-[1-(hexylamino)ethylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-butyl-5-[1-(hexylamino)ethylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-butyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (E)-1-butyl-5-(1-(hexylamino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C16H27N3O3 |
| Molecular Weight | 309.20523 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.20523 Da |
| Heavy Atoms | 22 |
| Complexity | 469.0 |
| SMILES | CCCCCCN=C(C)C1=C(N(C(=O)NC1=O)CCCC)O |
| InChIKey | AAGVJIXSJDVUFP-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-3-butyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-3-butyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (5E)-3-butyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-3-butyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione is 1164480-48-1.
The molecular formula of (5E)-3-butyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione is C16H27N3O3.
The molecular weight of (5E)-3-butyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione is 309.20523 g/mol.
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