N-[(Z)-(3-fluorophenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
Formula:C18H12N4F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-fluorophenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine |
| MolecularFormula | C18H12N4F4 |
| Smiles | FC(c1cc(N/N=C\c2cccc(F)c2)nc(-c2ccccc2)n1)(F)F |
| InChI | InChI=1S/C18H12F4N4/c19-14-8-4-5-12(9-14)11-23-26-16-10-15(18(20,21)22)24-17(25-16)13-6-2-1-3-7-13/h1-11H,(H,24,25,26) |
| InChIK | URZYFSHRQFIZCL-UHFFFAOYSA-N |
| TotalMolweight | 360.313 |
| Molweight | 360.313 |
| MonoisotopicMass | 360.099808 |
| CLogP | 6.2752 |
| CLogS | -5.931 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.33 |
| Relative PSA | 0.1712 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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