N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C19H22N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C19H22N6Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)c2)cc1 |
| InChI | InChI=1S/C19H22Cl2N6/c20-15-6-5-14(16(21)11-15)13-22-25-17-12-18(26-7-1-2-8-26)24-19(23-17)27-9-3-4-10-27/h5-6,11-13H,1-4,7-10H2,(H,23,24,25) |
| InChIK | ORNQFNXYKGHUSS-UHFFFAOYSA-N |
| TotalMolweight | 405.332 |
| Molweight | 405.332 |
| MonoisotopicMass | 404.128298 |
| CLogP | 6.544 |
| CLogS | -6.382 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.28 |
| Relative PSA | 0.17263 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | 4.2338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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