N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-4378 |
| Compound Name: | N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 317.37 |
| Molecular Formula: | C13 H15 N7 O S |
| Smiles: | Cc1c(C#N)c(NC(CSc2nc(cc(N)n2)N)=O)[nH]c1C |
| Stereo: | ACHIRAL |
| logP: | 0.6499 |
| logD: | 0.3709 |
| logSw: | -2.1402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 109.589 |
| InChI Key: | ZWLBCMHBLQWSQE-UHFFFAOYSA-N |