TL;DR: Uracil, 3-allyl-5-butyl-6-methyl- (CAS 102629-48-1) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
Also Known As: 3-Allyl-5-butyl-6-methyluracil, Uracil, 3-allyl-5-butyl-6-methyl-, 4-24-00-01353 (Beilstein Handbook Reference), 2-Cyclohexen-1-ol, 3,6-dimethyl-, trans-, 5-butyl-6-methyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.13683 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.13683 Da |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
| SMILES | CCCCC1=C(NC(=O)N(C1=O)CC=C)C |
| InChIKey | GSKQWQMTLLITRI-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Uracil, 3-allyl-5-butyl-6-methyl-. With a topological polar surface area (TPSA) of 49.4 Ų, Uracil, 3-allyl-5-butyl-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Uracil, 3-allyl-5-butyl-6-methyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Uracil, 3-allyl-5-butyl-6-methyl- is 102629-48-1.
The molecular formula of Uracil, 3-allyl-5-butyl-6-methyl- is C12H18N2O2.
The molecular weight of Uracil, 3-allyl-5-butyl-6-methyl- is 222.13683 g/mol.
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