TL;DR: 2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl- (CAS 125056-89-5) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethynyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Also Known As: HEPT deriv., 6Ethynyl-1(-2OHEtOMe)T, 6-Ethynyl-1-((2-hydroxyethoxy)methyl)thymine, 1-(2-Hydroxyethoxymethyl)-6-ethynylthymine, 6-Ethynyl-1-[(2-hydroxyethoxy)methyl]thymine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.07971 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.07971 Da |
| Heavy Atoms | 16 |
| Complexity | 391.0 |
| SMILES | CC1=C(N(C(=O)NC1=O)COCCO)C#C |
| InChIKey | PLMDRSHIPAEVJO-UHFFFAOYSA-N |
The XLogP value of -0.9 indicates that 2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl- is 125056-89-5.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl- is C10H12N2O4.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 6-ethynyl-1-((2-hydroxyethoxy)methyl)-5-methyl- is 224.07971 g/mol.
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