N-[(Z)-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C26H28N6OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C26H28N6OCl2 |
| Smiles | Clc(cc1)cc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)c2)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C26H28Cl2N6O/c27-21-9-10-23(35-18-19-7-1-2-8-22(19)28)20(15-21)17-29-32-24-16-25(33-11-3-4-12-33)31-26(30-24)34-13-5-6-14-34/h1-2,7-10,15-17H,3-6,11-14,18H2,(H,30,31,32) |
| InChIK | CBDMTYVPGPUVRD-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 | 0.48571 |
| 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 |
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1 - N-[(Z)-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine | 2 - N-[(Z)-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
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