TL;DR: 5,5'-((1,2-phenylenebis(azanediyl))bis(methanylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) (CAS 110553-74-7) is a chemical compound with molecular formula C20H20N6O6 and molecular weight 440.14444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-5-[[2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]phenyl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 5,5'-((1,2-phenylenebis(azanediyl))bis(methanylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione), 5,5'-[benzene-1,2-diylbis(iminomethylylidene)]bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione), 5-[[2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]anilino]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H20N6O6 |
| Molecular Weight | 440.14444 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.14444 Da |
| Heavy Atoms | 32 |
| Complexity | 905.0 |
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2N=CC3=C(N(C(=O)N(C3=O)C)C)O)O |
| InChIKey | LMYGGSBKHAMSGF-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 5,5'-((1,2-phenylenebis(azanediyl))bis(methanylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 5,5'-((1,2-phenylenebis(azanediyl))bis(methanylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5'-((1,2-phenylenebis(azanediyl))bis(methanylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5,5'-((1,2-phenylenebis(azanediyl))bis(methanylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) is 110553-74-7.
The molecular formula of 5,5'-((1,2-phenylenebis(azanediyl))bis(methanylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) is C20H20N6O6.
The molecular weight of 5,5'-((1,2-phenylenebis(azanediyl))bis(methanylylidene))bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) is 440.14444 g/mol.
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