1,3-dimethyl-8-(morpholin-4-yl)-7-{3-[(pyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
1,3-dimethyl-8-(morpholin-4-yl)-7-{3-[(pyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
1,3-dimethyl-8-(morpholin-4-yl)-7-{3-[(pyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-3978 |
| Compound Name: | 1,3-dimethyl-8-(morpholin-4-yl)-7-{3-[(pyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 425.92 |
| Molecular Formula: | C18 H27 N7 O3 |
| Salt: | HCl |
| Smiles: | CN1C(c2c(nc(N3CCOCC3)n2CCC/N=C2\CCCN2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8641 |
| logD: | -0.7206 |
| logSw: | -0.9128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.595 |
| InChI Key: | UIPHJQCKAPPNKE-UHFFFAOYSA-N |