N-[(Z)-benzylideneamino]-4-pyridin-3-ylpyrimidin-2-amine
Formula:C16H13N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-4-pyridin-3-ylpyrimidin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4-pyridin-3-ylpyrimidin-2-amine |
| MolecularFormula | C16H13N5 |
| Smiles | C(c1ccccc1)=N\Nc1nc(-c2cnccc2)ccn1 |
| InChI | InChI=1S/C16H13N5/c1-2-5-13(6-3-1)11-19-21-16-18-10-8-15(20-16)14-7-4-9-17-12-14/h1-12H,(H,18,20,21) |
| InChIK | TYPRPJGWYUVYKS-UHFFFAOYSA-N |
| TotalMolweight | 275.314 |
| Molweight | 275.314 |
| MonoisotopicMass | 275.117095 |
| CLogP | 4.3965 |
| CLogS | -3.399 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 225.28 |
| Relative PSA | 0.24805 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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