2-N-[(Z)-benzylideneamino]pyrimidine-2,4,6-triamine
Formula:C11H12N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-benzylideneamino]pyrimidine-2,4,6-triamine is a drug-like molecule.
| MolName | 2-N-[(Z)-benzylideneamino]pyrimidine-2,4,6-triamine |
| MolecularFormula | C11H12N6 |
| Smiles | Nc1nc(N/N=C\c2ccccc2)nc(N)c1 |
| InChI | InChI=1S/C11H12N6/c12-9-6-10(13)16-11(15-9)17-14-7-8-4-2-1-3-5-8/h1-7H,(H5,12,13,15,16,17) |
| InChIK | ACQJIICWKBFMDU-UHFFFAOYSA-N |
| TotalMolweight | 228.258 |
| Molweight | 228.258 |
| MonoisotopicMass | 228.112344 |
| CLogP | 2.9954 |
| CLogS | -3.618 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 183.8 |
| Relative PSA | 0.4105 |
| PolarSurfaceArea | 102.21 |
| Druglikeness | 2.27 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,3-diamino-aryl; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-N-[(Z)-benzylideneamino]pyrimidine-2,4,6-triamine | 2 - 2-N-[(Z)-benzylideneamino]pyrimidine-2,4,6-triamine
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