TL;DR: 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl- (CAS 15018-56-1) is a chemical compound with molecular formula C5H5BrN2O2 and molecular weight 203.95345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-6-methyl-1H-pyrimidine-2,4-dione
Also Known As: 5-Bromo-6-methyluracil, 5-bromo-6-methylpyrimidine-2,4-diol, 5-bromo-6-methyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-, Uracil, 5-bromo-6-methyl-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H5BrN2O2 |
| Molecular Weight | 203.95345 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.95345 Da |
| Heavy Atoms | 10 |
| Complexity | 234.0 |
| SMILES | CC1=C(C(=O)NC(=O)N1)Br |
| InChIKey | HEAXNUZNYDEXFG-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-. With a topological polar surface area (TPSA) of 58.2 Ų, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl- has 2 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 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl- is 15018-56-1.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl- is C5H5BrN2O2.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl- is 203.95345 g/mol.
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