TL;DR: Sulfuric acid--5,6-diaminopyrimidine-2,4-diol (1/2) (CAS 63981-35-1) is a chemical compound with molecular formula C8H14N8O8S and molecular weight 382.06552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(5,6-diamino-1H-pyrimidine-2,4-dione);sulfuric acid
Also Known As: 5,6-Diaminouracil semisulfate, 5,6-diamino-uracil, 5,6-Diaminouracil sulfate, 5,6-diamino-uracihemisulfate, 5,6-diamino-2,4-dihydroxypyrimidine sulfate dihydrate
| Molecular Formula | C8H14N8O8S |
| Molecular Weight | 382.06552 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 303.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 382.06552 Da |
| Heavy Atoms | 25 |
| Complexity | 313.0 |
| SMILES | C1(=C(NC(=O)NC1=O)N)N.C1(=C(NC(=O)NC1=O)N)N.OS(=O)(=O)O |
| InChIKey | OFZPGHXQOXIBIV-UHFFFAOYSA-N |
The XLogP value of -4.2 indicates that Sulfuric acid--5,6-diaminopyrimidine-2,4-diol (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 303.0 Ų indicates high polarity, suggesting Sulfuric acid--5,6-diaminopyrimidine-2,4-diol (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfuric acid--5,6-diaminopyrimidine-2,4-diol (1/2) has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sulfuric acid--5,6-diaminopyrimidine-2,4-diol (1/2) is 63981-35-1.
The molecular formula of Sulfuric acid--5,6-diaminopyrimidine-2,4-diol (1/2) is C8H14N8O8S.
The molecular weight of Sulfuric acid--5,6-diaminopyrimidine-2,4-diol (1/2) is 382.06552 g/mol.
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