2,6-dimorpholin-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-4-amine
Formula:C17H21N7O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,6-dimorpholin-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 2,6-dimorpholin-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-4-amine |
| MolecularFormula | C17H21N7O5 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)o1)=O |
| InChI | InChI=1S/C17H21N7O5/c25-24(26)16-2-1-13(29-16)12-18-21-14-11-15(22-3-7-27-8-4-22)20-17(19-14)23-5-9-28-10-6-23/h1-2,11-12H,3-10H2,(H,19,20,21) |
| InChIK | XKBOEEJXJLAAES-UHFFFAOYSA-N |
| TotalMolweight | 403.398 |
| Molweight | 403.398 |
| MonoisotopicMass | 403.160418 |
| CLogP | 1.9657 |
| CLogS | -4.339 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 303.8 |
| Relative PSA | 0.38361 |
| PolarSurfaceArea | 134.07 |
| Druglikeness | 1.5792 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2,6-dimorpholin-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-4-amine | 2 - 2,6-dimorpholin-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off