TL;DR: 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil (CAS 149981-39-5) is a chemical compound with molecular formula C13H15N5O5S and molecular weight 353.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-sulfamoylbenzamide
Also Known As: 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil, N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methyl-4-sulfamoylbenzamide, N-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-sulfamoylbenzamide, 4-(Aminosulfonyl)-N-(6-amino-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-5-pyrimidinyl)-N-methylBenzamide, 4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid
| Molecular Formula | C13H15N5O5S |
| Molecular Weight | 353.07938 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.07938 Da |
| Heavy Atoms | 24 |
| Complexity | 703.0 |
| SMILES | CN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N)N |
| InChIKey | WZYBOBQSBKKFQV-UHFFFAOYSA-N |
The XLogP value of -1.1 indicates that 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil has 3 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 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil is 149981-39-5.
The molecular formula of 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil is C13H15N5O5S.
The molecular weight of 6-Amino-5-(4-sulfonamidobenzoyl)-N-(methylamino)-1-methyluracil is 353.07938 g/mol.
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