1,3-dimethyl-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-7-{3-[(pyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
1,3-dimethyl-7-{3-[(pyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-3335 |
| Compound Name: | 1,3-dimethyl-7-{3-[(pyrrolidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 340.81 |
| Molecular Formula: | C14 H20 N6 O2 |
| Salt: | HCl |
| Smiles: | CN1C(c2c(ncn2CCC/N=C2\CCCN2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0999 |
| logD: | -1.8239 |
| logSw: | -1.14 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.95 |
| InChI Key: | JJWHIJLFKFHIAG-UHFFFAOYSA-N |