N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
Formula:C16H14N5F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-piperidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-piperidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C16H14N5F5 |
| Smiles | Fc(c(/C=N\Nc1ncnc(N2CCCCC2)c1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C16H14F5N5/c17-12-9(13(18)15(20)16(21)14(12)19)7-24-25-10-6-11(23-8-22-10)26-4-2-1-3-5-26/h6-8H,1-5H2,(H,22,23,25) |
| InChIK | YIHJJZXSLUUCNF-UHFFFAOYSA-N |
| TotalMolweight | 371.312 |
| Molweight | 371.312 |
| MonoisotopicMass | 371.116935 |
| CLogP | 5.3175 |
| CLogS | -5.757 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 264.11 |
| Relative PSA | 0.18348 |
| PolarSurfaceArea | 53.41 |
| Druglikeness | 1.532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-piperidin-1-ylpyrimidin-4-amine | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
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