TL;DR: 1,3-dimethyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1212493-91-8) is a chemical compound with molecular formula C17H25N3O3 and molecular weight 319.1896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-1,3-dimethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethyl]pyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-{[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C17H25N3O3 |
| Molecular Weight | 319.1896 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.1896 Da |
| Heavy Atoms | 23 |
| Complexity | 637.0 |
| SMILES | CC1(C2CCC1(C(C2)N=CC3=C(N(C(=O)N(C3=O)C)C)O)C)C |
| InChIKey | JFCFRVOIGQNKOF-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 1,3-dimethyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 1212493-91-8.
The molecular formula of 1,3-dimethyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C17H25N3O3.
The molecular weight of 1,3-dimethyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 319.1896 g/mol.
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