TL;DR: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 1005130-92-6) is a chemical compound with molecular formula C17H25N5O4 and molecular weight 363.19064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione, 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(1-methyl-2-oxopropyl)-1,3,7 -trihydropurine-2,6-dione, 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(1-methyl-2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H25N5O4 |
| Molecular Weight | 363.19064 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.19064 Da |
| Heavy Atoms | 26 |
| Complexity | 590.0 |
| SMILES | CC1CN(CC(O1)C)CC2=NC3=C(N2C(C)C(=O)C)C(=O)NC(=O)N3C |
| InChIKey | OSRCOTWWVHVXDX-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 1005130-92-6.
The molecular formula of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is C17H25N5O4.
The molecular weight of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 363.19064 g/mol.
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