2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-aminopyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-aminopyrimidin-4(3H)-one
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-aminopyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-0988 |
| Compound Name: | 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-aminopyrimidin-4(3H)-one |
| Molecular Weight: | 403.55 |
| Molecular Formula: | C20 H29 N5 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(CSC1NC(C=C(N)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6372 |
| logD: | 1.6097 |
| logSw: | -2.3422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.026 |
| InChI Key: | KPHSUTXDFDXYDE-UHFFFAOYSA-N |