4-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrimidin-2-amine
Formula:C13H8N4F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrimidin-2-amine is not a drug-like molecule.
| MolName | 4-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrimidin-2-amine |
| MolecularFormula | C13H8N4F6 |
| Smiles | FC(c1ccc(/C=N\Nc2nccc(C(F)(F)F)n2)cc1)(F)F |
| InChI | InChI=1S/C13H8F6N4/c14-12(15,16)9-3-1-8(2-4-9)7-21-23-11-20-6-5-10(22-11)13(17,18)19/h1-7H,(H,20,22,23) |
| InChIK | SXMUKNOHOPTPKG-UHFFFAOYSA-N |
| TotalMolweight | 334.223 |
| Molweight | 334.223 |
| MonoisotopicMass | 334.065314 |
| CLogP | 5.3978 |
| CLogS | -3.996 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 225.68 |
| Relative PSA | 0.199 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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