N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C23H25N7O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C23H25N7O3 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)c3)o2)ccc1)=O |
| InChI | InChI=1S/C23H25N7O3/c31-30(32)18-7-5-6-17(14-18)20-9-8-19(33-20)16-24-27-21-15-22(28-10-1-2-11-28)26-23(25-21)29-12-3-4-13-29/h5-9,14-16H,1-4,10-13H2,(H,25,26,27) |
| InChIK | LPSQFJNDFCBWBO-UHFFFAOYSA-N |
| TotalMolweight | 447.498 |
| Molweight | 447.498 |
| MonoisotopicMass | 447.201888 |
| CLogP | 5.0085 |
| CLogS | -6.83 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 343.56 |
| Relative PSA | 0.281 |
| PolarSurfaceArea | 115.61 |
| Druglikeness | 0.71772 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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