BRN 5578477
methyl 2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetate
| Molecular Formula | C12H17N3O2S |
|---|---|
| Molecular Weight | 267.35 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.6 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.10416 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 95546-88-6 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC(=C1)N2CCCCC2 |
| InChIKey | XPUWRMOAGWTSMX-UHFFFAOYSA-N |
📖 Product Overview
BRN 5578477 (CAS: 95546-88-6) is a chemical compound with molecular formula C12H17N3O2S and molecular weight 267.35 g/mol. Its IUPAC systematic name is methyl 2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetate.
XPUWRMOAGWTSMX-UHFFFAOYSA-N.
SMILES: COC(=O)CSC1=NC=NC(=C1)N2CCCCC2.
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