1,3-dimethyl-8-{[(thiophen-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-{[(thiophen-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-{[(thiophen-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2694 |
| Compound Name: | 1,3-dimethyl-8-{[(thiophen-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 291.33 |
| Molecular Formula: | C12 H13 N5 O2 S |
| Smiles: | CN1C(c2c(nc(NCc3cccs3)[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4195 |
| logD: | 1.417 |
| logSw: | -2.2636 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.462 |
| InChI Key: | NXTGUIARUDAJOG-UHFFFAOYSA-N |