N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
Formula:C32H36N6O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine |
| MolecularFormula | C32H36N6O |
| Smiles | C(c1cccc2ccccc12)Oc1c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)c2)cccc1 |
| InChI | InChI=1S/C32H36N6O/c1-7-18-37(19-8-1)31-22-30(34-32(35-31)38-20-9-2-10-21-38)36-33-23-26-13-4-6-17-29(26)39-24-27-15-11-14-25-12-3-5-16-28(25)27/h3-6,11-17,22-23H,1-2,7-10,18-21,24H2,(H,34,35,36) |
| InChIK | QORXDCYKURQEFW-UHFFFAOYSA-N |
| TotalMolweight | 520.679 |
| Molweight | 520.679 |
| MonoisotopicMass | 520.295059 |
| CLogP | 8.5585 |
| CLogS | -8.397 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 416.08 |
| Relative PSA | 0.14903 |
| PolarSurfaceArea | 65.88 |
| Druglikeness | 2.2354 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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