TL;DR: 2,4(1H,3H)-Pyrimidinedione, 6-ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl- (CAS 121593-86-0) is a chemical compound with molecular formula C15H17N3O6 and molecular weight 335.11172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethoxy-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione
Also Known As: 2,4(1H,3H)-Pyrimidinedione, 6-ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl-, 6-Ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl-2,4(1H,3H)-pyrimidinedione, 6-ethoxy-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione, 6-Ethoxy-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4(1H,3H)-dione, BRN 3569837
| Molecular Formula | C15H17N3O6 |
| Molecular Weight | 335.11172 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.11172 Da |
| Heavy Atoms | 24 |
| Complexity | 544.0 |
| SMILES | CCOC1=CC(=O)N(C(=O)N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C |
| InChIKey | QCXBIRFCKLVFPD-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, 6-ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl-. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 6-ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 6-ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl- has 0 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 2,4(1H,3H)-Pyrimidinedione, 6-ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl- is 121593-86-0.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 6-ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl- is C15H17N3O6.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 6-ethoxy-1-((4-methoxy-3-nitrophenyl)methyl)-3-methyl- is 335.11172 g/mol.
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