N-[(Z)-(4-bromophenyl)methylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
Formula:C16H18N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-6-piperidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-6-piperidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C16H18N5Br |
| Smiles | Brc1ccc(/C=N\Nc2ncnc(N3CCCCC3)c2)cc1 |
| InChI | InChI=1S/C16H18BrN5/c17-14-6-4-13(5-7-14)11-20-21-15-10-16(19-12-18-15)22-8-2-1-3-9-22/h4-7,10-12H,1-3,8-9H2,(H,18,19,21) |
| InChIK | RDTKTPPQHAOLGY-UHFFFAOYSA-N |
| TotalMolweight | 360.258 |
| Molweight | 360.258 |
| MonoisotopicMass | 359.074556 |
| CLogP | 5.5387 |
| CLogS | -5.021 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.99 |
| Relative PSA | 0.19308 |
| PolarSurfaceArea | 53.41 |
| Druglikeness | 1.082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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