TL;DR: 4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one (CAS 67051-35-8) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Isopropenyl-5-methylbarbituric acid, BARBITURIC ACID, 5-ISOPROPENYL-5-METHYL-, 5-Isopropenyl-5-methylbarbituricacid, 4-24-00-01979 (Beilstein Handbook Reference), 5-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.06914 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.06914 Da |
| Heavy Atoms | 13 |
| Complexity | 299.0 |
| SMILES | CC(=C)C1(C(=O)NC(=O)NC1=O)C |
| InChIKey | BHCOBDVPTWTVBT-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one. Following Lipinski's Rule of Five, 4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one is 67051-35-8.
The molecular formula of 4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one is C8H10N2O3.
The molecular weight of 4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one is 182.06914 g/mol.
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