N-[(Z)-(2-chlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C19H23N6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C19H23N6Cl |
| Smiles | Clc1c(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)c2)cccc1 |
| InChI | InChI=1S/C19H23ClN6/c20-16-8-2-1-7-15(16)14-21-24-17-13-18(25-9-3-4-10-25)23-19(22-17)26-11-5-6-12-26/h1-2,7-8,13-14H,3-6,9-12H2,(H,22,23,24) |
| InChIK | LDYKSBXJIKJHJK-UHFFFAOYSA-N |
| TotalMolweight | 370.887 |
| Molweight | 370.887 |
| MonoisotopicMass | 370.167271 |
| CLogP | 5.938 |
| CLogS | -5.646 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.86 |
| Relative PSA | 0.18194 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | 4.2338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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