4,7-diamino-5-(3-methoxyphenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-5-(3-methoxyphenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-5-(3-methoxyphenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8612 |
| Compound Name: | 4,7-diamino-5-(3-methoxyphenyl)-2-(methylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C16 H15 N5 O2 S |
| Smiles: | COc1cccc(c1)C1C(C#N)=C(N)Oc2c1c(N)nc(n2)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1467 |
| logD: | 2.1466 |
| logSw: | -2.5632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.747 |
| InChI Key: | MHSKDMUBTUZQAR-NSHDSACASA-N |