2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-1-phenylethan-1-one
Chemical Structure Depiction of
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-1-phenylethan-1-one
2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-1-phenylethan-1-one
Compound characteristics
| Compound ID: | Y505-4401 |
| Compound Name: | 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-1-phenylethan-1-one |
| Molecular Weight: | 260.31 |
| Molecular Formula: | C12 H12 N4 O S |
| Smiles: | C(C(c1ccccc1)=O)Sc1nc(cc(N)n1)N |
| Stereo: | ACHIRAL |
| logP: | 1.5266 |
| logD: | 1.5259 |
| logSw: | -2.2408 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.779 |
| InChI Key: | RKUVLNONDAQMDT-UHFFFAOYSA-N |