2,6-dimorpholin-4-yl-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyrimidin-4-amine
Formula:C30H32N6O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2,6-dimorpholin-4-yl-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 2,6-dimorpholin-4-yl-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyrimidin-4-amine |
| MolecularFormula | C30H32N6O3 |
| Smiles | C(c1cccc2ccccc12)Oc1cccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)c1 |
| InChI | InChI=1S/C30H32N6O3/c1-2-10-27-24(6-1)7-4-8-25(27)22-39-26-9-3-5-23(19-26)21-31-34-28-20-29(35-11-15-37-16-12-35)33-30(32-28)36-13-17-38-18-14-36/h1-10,19-21H,11-18,22H2,(H,32,33,34) |
| InChIK | CCJHTVVTJAMUJR-UHFFFAOYSA-N |
| TotalMolweight | 524.623 |
| Molweight | 524.623 |
| MonoisotopicMass | 524.253589 |
| CLogP | 6.2305 |
| CLogS | -6.619 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 408.56 |
| Relative PSA | 0.20073 |
| PolarSurfaceArea | 84.34 |
| Druglikeness | 3.2985 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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