N-[(Z)-(4-bromophenyl)methylideneamino]-5-phenylpyrimidin-2-amine
Formula:C17H13N4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-5-phenylpyrimidin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-5-phenylpyrimidin-2-amine |
| MolecularFormula | C17H13N4Br |
| Smiles | Brc1ccc(/C=N\Nc(nc2)ncc2-c2ccccc2)cc1 |
| InChI | InChI=1S/C17H13BrN4/c18-16-8-6-13(7-9-16)10-21-22-17-19-11-15(12-20-17)14-4-2-1-3-5-14/h1-12H,(H,19,20,22) |
| InChIK | SLHIXBWDLLNBNN-UHFFFAOYSA-N |
| TotalMolweight | 353.222 |
| Molweight | 353.222 |
| MonoisotopicMass | 352.032357 |
| CLogP | 6.0316 |
| CLogS | -5.336 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 245.15 |
| Relative PSA | 0.18319 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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