TL;DR: Uracil, 3-(((5-chloro-3-methylsalicyl)methylamino)methyl)- (CAS 74051-49-3) is a chemical compound with molecular formula C14H16ClN3O3 and molecular weight 309.088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(5-chloro-2-hydroxy-3-methylphenyl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione
Also Known As: Uracil, 3-(((5-chloro-3-methylsalicyl)methylamino)methyl)-, 2,4(1H,3H)Pyrimidinedione, 3-(((5-chloro-3-methylsalicyl)methylamino)methyl)-, 2,4(1H,3H)-Pyrimidinedione, 3-((((5-chloro-2-hydroxy-3-methylphenyl)methyl)methylamino)methyl)-, Uracil, 3-[[(5-chloro-3-methylsalicyl)methylamino]methyl]-, 2,4(1H,3H)Pyrimidinedione, 3-[[(5-chloro-3-methylsalicyl)met
| Molecular Formula | C14H16ClN3O3 |
| Molecular Weight | 309.088 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.088 Da |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
| SMILES | CC1=CC(=CC(=C1O)CN(C)CN2C(=O)C=CNC2=O)Cl |
| InChIKey | APNHUNFNDKBIGO-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Uracil, 3-(((5-chloro-3-methylsalicyl)methylamino)methyl)-. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Uracil, 3-(((5-chloro-3-methylsalicyl)methylamino)methyl)-. Following Lipinski's Rule of Five, Uracil, 3-(((5-chloro-3-methylsalicyl)methylamino)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 Uracil, 3-(((5-chloro-3-methylsalicyl)methylamino)methyl)- is 74051-49-3.
The molecular formula of Uracil, 3-(((5-chloro-3-methylsalicyl)methylamino)methyl)- is C14H16ClN3O3.
The molecular weight of Uracil, 3-(((5-chloro-3-methylsalicyl)methylamino)methyl)- is 309.088 g/mol.
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