N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
Formula:C19H23N6O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine |
| MolecularFormula | C19H23N6O2Cl |
| Smiles | Clc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)ccc1 |
| InChI | InChI=1S/C19H23ClN6O2/c20-16-3-1-2-15(12-16)14-21-24-17-13-18(25-4-8-27-9-5-25)23-19(22-17)26-6-10-28-11-7-26/h1-3,12-14H,4-11H2,(H,22,23,24) |
| InChIK | IRNNKSHJPOOKCO-UHFFFAOYSA-N |
| TotalMolweight | 402.885 |
| Molweight | 402.885 |
| MonoisotopicMass | 402.157101 |
| CLogP | 4.294 |
| CLogS | -4.408 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 305.86 |
| Relative PSA | 0.23543 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | 3.3122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 |
Click to Load Molecule:
1 - N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine | 2 - N-[(Z)-(3-chlorophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off