TL;DR: Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)- (CAS 141985-50-4) is a chemical compound with molecular formula C13H13N5O6 and molecular weight 335.08658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-6-nitro-7-(2-oxopyrrolidin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
Also Known As: Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)-, 1,3-Dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxopyrrolidin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione, 1,3-Dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)pyrido[2,3-d]pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxopyrrolidin-1-yl)-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
| Molecular Formula | C13H13N5O6 |
| Molecular Weight | 335.08658 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.08658 Da |
| Heavy Atoms | 24 |
| Complexity | 776.0 |
| SMILES | CN1C2=C(C(=O)C(=C(N2)N3CCCC3=O)[N+](=O)[O-])C(=O)N(C1=O)C |
| InChIKey | WJHCGNQDQVPEKA-UHFFFAOYSA-N |
The XLogP value of -0.9 indicates that Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)-. Following Lipinski's Rule of Five, Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)- is 141985-50-4.
The molecular formula of Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)- is C13H13N5O6.
The molecular weight of Pyrido(2,3-d)pyrimidine-2,4,5(1H,3H,8H)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)- is 335.08658 g/mol.
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