TL;DR: 2,4(1H,3H)-Pyrimidinedione, 1-(5-bromopentyl)-3,6-dimethyl- (CAS 139333-91-8) is a chemical compound with molecular formula C11H17BrN2O2 and molecular weight 288.04733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-bromopentyl)-3,6-dimethylpyrimidine-2,4-dione
Also Known As: 2,4(1H,3H)-Pyrimidinedione, 1-(5-bromopentyl)-3,6-dimethyl-, 1-(5-bromopentyl)-3,6-dimethylpyrimidine-2,4-dione, 1-(5-bromopentyl)-3,6-dimethyl-pyrimidine-2,4-dione, 1-(5-Bromopentyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione, 1-(5-bromopentyl)-3,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C11H17BrN2O2 |
| Molecular Weight | 288.04733 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.04733 Da |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
| SMILES | CC1=CC(=O)N(C(=O)N1CCCCCBr)C |
| InChIKey | IQMWBLSTCOHJDA-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, 1-(5-bromopentyl)-3,6-dimethyl-. With a topological polar surface area (TPSA) of 40.6 Ų, 2,4(1H,3H)-Pyrimidinedione, 1-(5-bromopentyl)-3,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 1-(5-bromopentyl)-3,6-dimethyl- has 0 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, 1-(5-bromopentyl)-3,6-dimethyl- is 139333-91-8.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 1-(5-bromopentyl)-3,6-dimethyl- is C11H17BrN2O2.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 1-(5-bromopentyl)-3,6-dimethyl- is 288.04733 g/mol.
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