6-amino-1,3-dimethyl-5-{[(9H-purin-6-yl)sulfanyl]acetyl}pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-amino-1,3-dimethyl-5-{[(9H-purin-6-yl)sulfanyl]acetyl}pyrimidine-2,4(1H,3H)-dione
6-amino-1,3-dimethyl-5-{[(9H-purin-6-yl)sulfanyl]acetyl}pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 3874-0007 |
| Compound Name: | 6-amino-1,3-dimethyl-5-{[(9H-purin-6-yl)sulfanyl]acetyl}pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 347.35 |
| Molecular Formula: | C13 H13 N7 O3 S |
| Smiles: | CN1C(=C(C(CSc2c3c(ncn2)[nH]cn3)=O)C(N(C)C1=O)=O)N |
| Stereo: | ACHIRAL |
| logP: | -0.6093 |
| logD: | -0.6094 |
| logSw: | -1.7431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.952 |
| InChI Key: | ZXXLPEOMPNNSEH-UHFFFAOYSA-N |