4,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine
Formula:C22H17N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine is not a drug-like molecule.
| MolName | 4,6-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine |
| MolecularFormula | C22H17N5 |
| Smiles | C(c1cnccc1)=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 |
| InChI | InChI=1S/C22H17N5/c1-3-9-18(10-4-1)20-14-21(19-11-5-2-6-12-19)26-22(25-20)27-24-16-17-8-7-13-23-15-17/h1-16H,(H,25,26,27) |
| InChIK | QYRFUAMRNAKEET-UHFFFAOYSA-N |
| TotalMolweight | 351.412 |
| Molweight | 351.412 |
| MonoisotopicMass | 351.148395 |
| CLogP | 6.1467 |
| CLogS | -5.177 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.04 |
| Relative PSA | 0.19604 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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