TL;DR: 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(1-propynyl)- (CAS 125056-88-4) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyethoxymethyl)-5-methyl-6-prop-1-ynylpyrimidine-2,4-dione
Also Known As: HEPT deriv., 1-(2OHEtOMe)-6(MeEthynyl)T, 1-[(2-hydroxyethoxy)methyl]-6-(1-propynyl)thymine, 1-((2-Hydroxyethoxy)methyl)-6-(2-methylethynyl)thymine, 1-(2-Hydroxyethoxymethyl)-6-(1-propynyl)thymine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.09535 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 Da |
| Heavy Atoms | 17 |
| Complexity | 427.0 |
| SMILES | CC#CC1=C(C(=O)NC(=O)N1COCCO)C |
| InChIKey | AWSAOTZCPBDVQT-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(1-propynyl)- 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, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(1-propynyl)-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(1-propynyl)- 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, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(1-propynyl)- is 125056-88-4.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(1-propynyl)- is C11H14N2O4.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(1-propynyl)- is 238.09535 g/mol.
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