2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine
Formula:C17H16N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine is a drug-like molecule.
| MolName | 2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine |
| MolecularFormula | C17H16N6O |
| Smiles | Nc1nc(N/N=C\c2cccc(Oc3ccccc3)c2)nc(N)c1 |
| InChI | InChI=1S/C17H16N6O/c18-15-10-16(19)22-17(21-15)23-20-11-12-5-4-8-14(9-12)24-13-6-2-1-3-7-13/h1-11H,(H5,18,19,21,22,23) |
| InChIK | NBSRMAUAZVPJQF-UHFFFAOYSA-N |
| TotalMolweight | 320.355 |
| Molweight | 320.355 |
| MonoisotopicMass | 320.138559 |
| CLogP | 4.391 |
| CLogS | -5.915 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 253.56 |
| Relative PSA | 0.337 |
| PolarSurfaceArea | 111.44 |
| Druglikeness | 1.9376 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,3-diamino-aryl; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine | 2 - 2-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine
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