4,7-diamino-2-(methylsulfanyl)-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-(methylsulfanyl)-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-(methylsulfanyl)-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8849 |
| Compound Name: | 4,7-diamino-2-(methylsulfanyl)-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 312.35 |
| Molecular Formula: | C14 H12 N6 O S |
| Smiles: | CSc1nc(c2C(C(C#N)=C(N)Oc2n1)c1cccnc1)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0546 |
| logD: | 0.9979 |
| logSw: | -1.2578 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 94.721 |
| InChI Key: | BBCOKDSDZXXYGC-VIFPVBQESA-N |