N-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Formula:C12H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | N-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| MolecularFormula | C12H10N4 |
| Smiles | c1c[nH]c2c1ncnc2Nc1ccccc1 |
| InChI | InChI=1S/C12H10N4/c1-2-4-9(5-3-1)16-12-11-10(6-7-13-11)14-8-15-12/h1-8,13H,(H,14,15,16) |
| InChIK | YTMQMLSWUCSZHX-UHFFFAOYSA-N |
| TotalMolweight | 210.239 |
| Molweight | 210.239 |
| MonoisotopicMass | 210.090546 |
| CLogP | 2.1401 |
| CLogS | -3.135 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 166.17 |
| Relative PSA | 0.28519 |
| PolarSurfaceArea | 53.6 |
| Druglikeness | -0.69049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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