4,6-dipyrrolidin-1-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
Formula:C19H22N7F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-dipyrrolidin-1-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | 4,6-dipyrrolidin-1-yl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine |
| MolecularFormula | C19H22N7F3 |
| Smiles | FC(c1cc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1)(F)F |
| InChI | InChI=1S/C19H22F3N7/c20-19(21,22)15-7-5-6-14(12-15)13-23-27-16-24-17(28-8-1-2-9-28)26-18(25-16)29-10-3-4-11-29/h5-7,12-13H,1-4,8-11H2,(H,24,25,26,27) |
| InChIK | PIPITRMQERRTDN-UHFFFAOYSA-N |
| TotalMolweight | 405.427 |
| Molweight | 405.427 |
| MonoisotopicMass | 405.188877 |
| CLogP | 6.0928 |
| CLogS | -5.557 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 298.66 |
| Relative PSA | 0.21088 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | -2.9399 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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