3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile
Chemical Structure Depiction of
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile
Compound characteristics
| Compound ID: | 8012-2227 |
| Compound Name: | 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile |
| Molecular Weight: | 233.23 |
| Molecular Formula: | C10 H11 N5 O2 |
| Smiles: | CN1C(c2c(ncn2CCC#N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4257 |
| logD: | -0.4257 |
| logSw: | -0.4532 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.702 |
| InChI Key: | KAVJVVVIFOIZKM-UHFFFAOYSA-N |