Pyrimethamine isethionate
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;2-hydroxyethanesulfonic acid
Also Known As: Pyrimethamine isethionate|2-hydroxyethanesulfonic acid- 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine(1:1)|5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine; 2-hydroxyethanesulfonic acid|2-Hydroxyethane-1-sulfonic acid--5-(4-chlorophenyl)-6-ethyl-2-imino-2,3-dihydropyrimidin-4-amine (1/1)|2-Hydroxyethanesulphonic acid, compound with 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (1:1)
| Molecular Formula | C14H19ClN4O4S |
|---|---|
| Molecular Weight | 374.08154 g/mol |
| LogP | 1.3903 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.08154 |
| Monoisotopic Mass | 374.08154 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 17529-98-5 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.C(CS(=O)(=O)O)O |
| InChIKey | DFMXZKTVDQNLAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimethamine isethionate (CAS 17529-98-5), with molecular formula C14H19ClN4O4S and molecular weight 374.08154 g/mol. IUPAC: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;2-hydroxyethanesulfonic acid.