TL;DR: 2,4(1H,3H)-Pyrimidinedione, ethenyl- (CAS 105304-39-0) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethenylpyrimidine-2,4-dione
Also Known As: 1-vinyluracil, Aminothioacetamiden, 1-Vinylpyrimidine-2,4(1H,3H)-dione, 1-ethenylpyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, ethenyl-
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.04292 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.04292 Da |
| Heavy Atoms | 10 |
| Complexity | 220.0 |
| SMILES | C=CN1C=CC(=O)NC1=O |
| InChIKey | JXBOFERRSCSVGT-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that 2,4(1H,3H)-Pyrimidinedione, ethenyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.4 Ų, 2,4(1H,3H)-Pyrimidinedione, ethenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, ethenyl- 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 2,4(1H,3H)-Pyrimidinedione, ethenyl- is 105304-39-0.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, ethenyl- is C6H6N2O2.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, ethenyl- is 138.04292 g/mol.
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