1,3-dimethyl-8-(piperidin-1-yl)-7-{2-[(pyrrolidin-2-ylidene)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
1,3-dimethyl-8-(piperidin-1-yl)-7-{2-[(pyrrolidin-2-ylidene)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
1,3-dimethyl-8-(piperidin-1-yl)-7-{2-[(pyrrolidin-2-ylidene)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-4580 |
| Compound Name: | 1,3-dimethyl-8-(piperidin-1-yl)-7-{2-[(pyrrolidin-2-ylidene)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 409.92 |
| Molecular Formula: | C18 H27 N7 O2 |
| Salt: | HCl |
| Smiles: | CN1C(c2c(nc(N3CCCCC3)n2CC/N=C2\CCCN2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0004 |
| logD: | -3.2877 |
| logSw: | -2.1711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.687 |
| InChI Key: | APJSOSHLFGPLGO-UHFFFAOYSA-N |