4,7-diamino-2-[(prop-2-yn-1-yl)sulfanyl]-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-[(prop-2-yn-1-yl)sulfanyl]-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-[(prop-2-yn-1-yl)sulfanyl]-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8850 |
| Compound Name: | 4,7-diamino-2-[(prop-2-yn-1-yl)sulfanyl]-5-(pyridin-3-yl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C16 H12 N6 O S |
| Smiles: | C#CCSc1nc(c2C(C(C#N)=C(N)Oc2n1)c1cccnc1)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3186 |
| logD: | 1.2618 |
| logSw: | -1.3175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 94.721 |
| InChI Key: | ISCIEXGQHZZFNE-NSHDSACASA-N |