N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
Formula:C19H22N6O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine |
| MolecularFormula | C19H22N6O2Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)cc1 |
| InChI | InChI=1S/C19H22Cl2N6O2/c20-15-2-1-14(16(21)11-15)13-22-25-17-12-18(26-3-7-28-8-4-26)24-19(23-17)27-5-9-29-10-6-27/h1-2,11-13H,3-10H2,(H,23,24,25) |
| InChIK | XRFWWFIALBFPBK-UHFFFAOYSA-N |
| TotalMolweight | 437.33 |
| Molweight | 437.33 |
| MonoisotopicMass | 436.118128 |
| CLogP | 4.9 |
| CLogS | -5.144 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 321.28 |
| Relative PSA | 0.22413 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | 3.3122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
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