N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C26H28N6OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C26H28N6OCl2 |
| Smiles | Clc1cc(Cl)c(COc2cc(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)c3)ccc2)cc1 |
| InChI | InChI=1S/C26H28Cl2N6O/c27-21-9-8-20(23(28)15-21)18-35-22-7-5-6-19(14-22)17-29-32-24-16-25(33-10-1-2-11-33)31-26(30-24)34-12-3-4-13-34/h5-9,14-17H,1-4,10-13,18H2,(H,30,31,32) |
| InChIK | VUQQENSLZVIBOM-UHFFFAOYSA-N |
| TotalMolweight | 511.455 |
| Molweight | 511.455 |
| MonoisotopicMass | 510.170163 |
| CLogP | 7.8921 |
| CLogS | -7.723 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 384.8 |
| Relative PSA | 0.16115 |
| PolarSurfaceArea | 65.88 |
| Druglikeness | 3.6858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine | 2 - N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off