TL;DR: 4,6-Dihydroxy-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)pyrimidin-2(5H)-one (CAS 25651-43-8) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.12666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-prop-2-enyl-5-(1-propoxyethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5- barbituricacid, 5-Allyl-5-(1-propoxyethyl)barbituric acid, BARBITURIC ACID, 5-ALLYL-5-(1-PROPOXYETHYL)-, 4-25-00-00456 (Beilstein Handbook Reference), 5-Allyl-5-(1-propoxy-aethyl)-barbitursaeure
| Molecular Formula | C12H18N2O4 |
| Molecular Weight | 254.12666 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.12666 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | CCCOC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | FGXQCNBTDFFLPH-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dihydroxy-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)pyrimidin-2(5H)-one. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dihydroxy-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)pyrimidin-2(5H)-one. Following Lipinski's Rule of Five, 4,6-Dihydroxy-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)pyrimidin-2(5H)-one 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 4,6-Dihydroxy-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)pyrimidin-2(5H)-one is 25651-43-8.
The molecular formula of 4,6-Dihydroxy-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)pyrimidin-2(5H)-one is C12H18N2O4.
The molecular weight of 4,6-Dihydroxy-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)pyrimidin-2(5H)-one is 254.12666 g/mol.
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