Tocris-0889
2-bromo-N-[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;sulfuric acid
Also Known As: Tocris-0889|2-bromo-N-[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]acetamide|2-bromo-N-[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]acetamide,sulfuric acid|2-bromo-N-[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]acetamide; sulfuric acid|Sulfuric acid--2-bromo-N-(4-{2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl}phenyl)acetamide (1/1)
| Molecular Formula | C20H21BrClN5O5S |
|---|---|
| Molecular Weight | 557.01355 g/mol |
| LogP | 3.4272 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 557.01355 |
| Monoisotopic Mass | 557.01355 |
| Heavy Atoms | 33 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 17005-25-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)NC(=O)CBr.OS(=O)(=O)O |
| InChIKey | GHSQEFDHSMSSGM-UHFFFAOYSA-N |
Product Overview
Tocris-0889 (CAS 17005-25-3), with molecular formula C20H21BrClN5O5S and molecular weight 557.01355 g/mol. IUPAC: 2-bromo-N-[4-[2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;sulfuric acid.
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