TL;DR: 2,4(1H,3H)-Pyrimidinedione, 1-((3-chloro-4-methoxyphenyl)methyl)-6-((2-hydroxyethyl)amino)-3-methyl- (CAS 121593-79-1) is a chemical compound with molecular formula C15H18ClN3O4 and molecular weight 339.09857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-chloro-4-methoxyphenyl)methyl]-6-(2-hydroxyethylamino)-3-methylpyrimidine-2,4-dione
Also Known As: 2,4(1H,3H)-Pyrimidinedione, 1-((3-chloro-4-methoxyphenyl)methyl)-6-((2-hydroxyethyl)amino)-3-methyl-, 1-[(3-chloro-4-methoxyphenyl)methyl]-6-(2-hydroxyethylamino)-3-methylpyrimidine-2,4-dione, 1-[(3-Chloro-4-methoxyphenyl)methyl]-6-[(2-hydroxyethyl)amino]-3-methylpyrimidine-2,4(1H,3H)-dione, BRN 3567509
| Molecular Formula | C15H18ClN3O4 |
| Molecular Weight | 339.09857 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.09857 Da |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
| SMILES | CN1C(=O)C=C(N(C1=O)CC2=CC(=C(C=C2)OC)Cl)NCCO |
| InChIKey | DISKRQUWGWJSOU-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, 1-((3-chloro-4-methoxyphenyl)methyl)-6-((2-hydroxyethyl)amino)-3-methyl-. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 1-((3-chloro-4-methoxyphenyl)methyl)-6-((2-hydroxyethyl)amino)-3-methyl-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 1-((3-chloro-4-methoxyphenyl)methyl)-6-((2-hydroxyethyl)amino)-3-methyl- has 2 hydrogen bond donor(s) and 5 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-((3-chloro-4-methoxyphenyl)methyl)-6-((2-hydroxyethyl)amino)-3-methyl- is 121593-79-1.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 1-((3-chloro-4-methoxyphenyl)methyl)-6-((2-hydroxyethyl)amino)-3-methyl- is C15H18ClN3O4.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 1-((3-chloro-4-methoxyphenyl)methyl)-6-((2-hydroxyethyl)amino)-3-methyl- is 339.09857 g/mol.
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