5-(4-nitrophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine
Formula:C16H12N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(4-nitrophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine is a drug-like molecule.
| MolName | 5-(4-nitrophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine |
| MolecularFormula | C16H12N6O2 |
| Smiles | [O-][N+](c(cc1)ccc1-c1cnc(N/N=C\c2cnccc2)nc1)=O |
| InChI | InChI=1S/C16H12N6O2/c23-22(24)15-5-3-13(4-6-15)14-10-18-16(19-11-14)21-20-9-12-2-1-7-17-8-12/h1-11H,(H,18,19,21) |
| InChIK | XAHRKHRZWOHOLV-UHFFFAOYSA-N |
| TotalMolweight | 320.311 |
| Molweight | 320.311 |
| MonoisotopicMass | 320.102174 |
| CLogP | 3.3839 |
| CLogS | -4.167 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 248.95 |
| Relative PSA | 0.34666 |
| PolarSurfaceArea | 108.88 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-(4-nitrophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine | 2 - 5-(4-nitrophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]pyrimidin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off