| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine |
| MolecularFormula | C21H26N6Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)c2)cc1 |
| InChI | InChI=1S/C21H26Cl2N6/c22-17-8-7-16(18(23)13-17)15-24-27-19-14-20(28-9-3-1-4-10-28)26-21(25-19)29-11-5-2-6-12-29/h7-8,13-15H,1-6,9-12H2,(H,25,26,27) |
| InChIK | RAPFYZQGSFHFIZ-UHFFFAOYSA-N |
| TotalMolweight | 433.385 |
| Molweight | 433.385 |
| MonoisotopicMass | 432.159598 |
| CLogP | 7.228 |
| CLogS | -6.922 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.8 |
| Relative PSA | 0.15818 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | 2.8442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine