ethyl 4-amino-2-({[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6809-0042 |
| Compound Name: | ethyl 4-amino-2-({[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C18 H20 N8 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCc1nc(N)nc(Nc2ccccc2OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8629 |
| logD: | 2.8597 |
| logSw: | -3.4276 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 127.534 |
| InChI Key: | VRRLBARFNXKYTJ-UHFFFAOYSA-N |