4-(4-bromophenyl)-6-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine
Formula:C22H16N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-bromophenyl)-6-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine is not a drug-like molecule.
| MolName | 4-(4-bromophenyl)-6-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine |
| MolecularFormula | C22H16N5Br |
| Smiles | Brc(cc1)ccc1-c1nc(N/N=C\c2cnccc2)nc(-c2ccccc2)c1 |
| InChI | InChI=1S/C22H16BrN5/c23-19-10-8-18(9-11-19)21-13-20(17-6-2-1-3-7-17)26-22(27-21)28-25-15-16-5-4-12-24-14-16/h1-15H,(H,26,27,28) |
| InChIK | BDCSUSLGGSUOBI-UHFFFAOYSA-N |
| TotalMolweight | 430.308 |
| Molweight | 430.308 |
| MonoisotopicMass | 429.058906 |
| CLogP | 6.8719 |
| CLogS | -6.011 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.67 |
| Relative PSA | 0.18402 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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