3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5181 |
| Compound Name: | 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 518.62 |
| Molecular Formula: | C25 H22 N6 O3 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(c1c(C)c2C(N(C(=Nc2s1)SCC1=CC(N2C=CC=CC2=N1)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8953 |
| logD: | 2.8934 |
| logSw: | -3.2023 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.83 |
| InChI Key: | QQRLGRONBMMJLM-UHFFFAOYSA-N |