| MolName | N-[(Z)-benzylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine |
| MolecularFormula | C21H28N6 |
| Smiles | C(CC1)CCN1c1cc(N/N=C\c2ccccc2)nc(N2CCCCC2)n1 |
| InChI | InChI=1S/C21H28N6/c1-4-10-18(11-5-1)17-22-25-19-16-20(26-12-6-2-7-13-26)24-21(23-19)27-14-8-3-9-15-27/h1,4-5,10-11,16-17H,2-3,6-9,12-15H2,(H,23,24,25) |
| InChIK | MUSSEZOMLNLIJA-UHFFFAOYSA-N |
| TotalMolweight | 364.495 |
| Molweight | 364.495 |
| MonoisotopicMass | 364.237544 |
| CLogP | 6.016 |
| CLogS | -5.45 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 297.96 |
| Relative PSA | 0.17455 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | 2.872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine | 2 - N-[(Z)-benzylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine