2,4-bis(aziridin-1-yl)-5-nitropyrimidine
Formula:C8H9N5O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
2,4-bis(aziridin-1-yl)-5-nitropyrimidine is a drug-like molecule.
| MolName | 2,4-bis(aziridin-1-yl)-5-nitropyrimidine |
| MolecularFormula | C8H9N5O2 |
| Smiles | [O-][N+](c1c(N2CC2)nc(N2CC2)nc1)=O |
| InChI | InChI=1S/C8H9N5O2/c14-13(15)6-5-9-8(12-3-4-12)10-7(6)11-1-2-11/h5H,1-4H2 |
| InChIK | VGTUYAVMMFMGFU-UHFFFAOYSA-N |
| TotalMolweight | 207.192 |
| Molweight | 207.192 |
| MonoisotopicMass | 207.075625 |
| CLogP | -0.4903 |
| CLogS | -2.232 |
| H Acceptors | 7 |
| TotalSurfaceArea | 139.09 |
| Relative PSA | 0.39873 |
| PolarSurfaceArea | 77.62 |
| Druglikeness | -3.3859 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; oxiran/aziridine |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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