6-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
Formula:C17H8N4ClF5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine |
| MolecularFormula | C17H8N4ClF5 |
| Smiles | Fc(c(/C=N\Nc1cc(Cl)nc(-c2ccccc2)n1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C17H8ClF5N4/c18-10-6-11(26-17(25-10)8-4-2-1-3-5-8)27-24-7-9-12(19)14(21)16(23)15(22)13(9)20/h1-7H,(H,25,26,27) |
| InChIK | JMFMEDYKAKQMID-UHFFFAOYSA-N |
| TotalMolweight | 398.722 |
| Molweight | 398.722 |
| MonoisotopicMass | 398.035763 |
| CLogP | 6.4795 |
| CLogS | -6.884 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.69 |
| Relative PSA | 0.16409 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 6-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine | 2 - 6-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
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