6-morpholin-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]pyrimidin-4-amine
Formula:C15H16N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-morpholin-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]pyrimidin-4-amine is a drug-like molecule.
| MolName | 6-morpholin-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]pyrimidin-4-amine |
| MolecularFormula | C15H16N6O3 |
| Smiles | [O-][N+](c1cc(/C=N\Nc2ncnc(N3CCOCC3)c2)ccc1)=O |
| InChI | InChI=1S/C15H16N6O3/c22-21(23)13-3-1-2-12(8-13)10-18-19-14-9-15(17-11-16-14)20-4-6-24-7-5-20/h1-3,8-11H,4-7H2,(H,16,17,19) |
| InChIK | BALICKPKMLGATH-UHFFFAOYSA-N |
| TotalMolweight | 328.331 |
| Molweight | 328.331 |
| MonoisotopicMass | 328.128389 |
| CLogP | 2.3871 |
| CLogS | -3.758 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 252.27 |
| Relative PSA | 0.35232 |
| PolarSurfaceArea | 108.46 |
| Druglikeness | -1.8712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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