N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine
Formula:C16H11N5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine |
| MolecularFormula | C16H11N5Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(-c3cnccc3)ccn2)cc1 |
| InChI | InChI=1S/C16H11Cl2N5/c17-13-4-3-11(14(18)8-13)10-21-23-16-20-7-5-15(22-16)12-2-1-6-19-9-12/h1-10H,(H,20,22,23) |
| InChIK | LUXSREKVEGZDDM-UHFFFAOYSA-N |
| TotalMolweight | 344.204 |
| Molweight | 344.204 |
| MonoisotopicMass | 343.039149 |
| CLogP | 5.6085 |
| CLogS | -4.871 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 256.12 |
| Relative PSA | 0.21818 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine
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