TL;DR: 1-Allyl-5-[1-cyclopropylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione (CAS 1164508-45-5) is a chemical compound with molecular formula C13H17N3O3 and molecular weight 263.12698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(N-cyclopropyl-C-ethylcarbonimidoyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: 1-Allyl-5-[1-cyclopropylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione, (5E)-5-[1-(cyclopropylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (E)-1-allyl-5-(1-(cyclopropylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-(cyclopropylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5E)-5-[1-(cyclopropylamino)propylidene]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C13H17N3O3 |
| Molecular Weight | 263.12698 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.12698 Da |
| Heavy Atoms | 19 |
| Complexity | 489.0 |
| SMILES | CCC(=NC1CC1)C2=C(N(C(=O)NC2=O)CC=C)O |
| InChIKey | FSVLSMBDMUDMBV-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-5-[1-cyclopropylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-5-[1-cyclopropylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione. Following Lipinski's Rule of Five, 1-Allyl-5-[1-cyclopropylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione 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 1-Allyl-5-[1-cyclopropylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione is 1164508-45-5.
The molecular formula of 1-Allyl-5-[1-cyclopropylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione is C13H17N3O3.
The molecular weight of 1-Allyl-5-[1-cyclopropylamino-prop-(E)-ylidene]-pyrimidine-2,4,6-trione is 263.12698 g/mol.
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