2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-amine
Formula:C17H12N5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-amine is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-amine |
| MolecularFormula | C17H12N5F3 |
| Smiles | FC(c1nc(-c2ccccc2)nc(N/N=C\c2cnccc2)c1)(F)F |
| InChI | InChI=1S/C17H12F3N5/c18-17(19,20)14-9-15(25-22-11-12-5-4-8-21-10-12)24-16(23-14)13-6-2-1-3-7-13/h1-11H,(H,23,24,25) |
| InChIK | WGEIAVGRGAZEEI-UHFFFAOYSA-N |
| TotalMolweight | 343.311 |
| Molweight | 343.311 |
| MonoisotopicMass | 343.104479 |
| CLogP | 5.1735 |
| CLogS | -4.822 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 254.74 |
| Relative PSA | 0.21936 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| 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 | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-amine | 2 - 2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off