6-(butan-2-yl)-1-methyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-(butan-2-yl)-1-methyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-(butan-2-yl)-1-methyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V004-2402 |
| Compound Name: | 6-(butan-2-yl)-1-methyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 367.37 |
| Molecular Formula: | C18 H20 F3 N3 O2 |
| Smiles: | CCC(C)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.01 |
| logD: | 2.8271 |
| logSw: | -3.5076 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.245 |
| InChI Key: | XJNKXIHNRNDYKO-UHFFFAOYSA-N |