Pyrithiamine base
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol
| Molecular Formula | C14H19N4O+ |
|---|---|
| Molecular Weight | 259.33 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.9 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.15588 |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 5593-78-2 |
|---|---|
| SMILES | CC1=C(C=CC=[N+]1CC2=CN=C(N=C2N)C)CCO |
| InChIKey | PZWYDZMWPANLMB-UHFFFAOYSA-N |
📖 Product Overview
Pyrithiamine base (CAS: 5593-78-2) is a chemical compound with molecular formula C14H19N4O+ and molecular weight 259.33 g/mol. Its IUPAC systematic name is 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol.
PZWYDZMWPANLMB-UHFFFAOYSA-N.
SMILES: CC1=C(C=CC=[N+]1CC2=CN=C(N=C2N)C)CCO.
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