4-anilino-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Formula:C19H13N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-anilino-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile is a drug-like molecule.
| MolName | 4-anilino-2-phenyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile |
| MolecularFormula | C19H13N5 |
| Smiles | N#Cc1c[nH]c2c(Nc3ccccc3)nc(-c3ccccc3)nc12 |
| InChI | InChI=1S/C19H13N5/c20-11-14-12-21-17-16(14)23-18(13-7-3-1-4-8-13)24-19(17)22-15-9-5-2-6-10-15/h1-10,12,21H,(H,22,23,24) |
| InChIK | UIUUYKDNFDCCFV-UHFFFAOYSA-N |
| TotalMolweight | 311.347 |
| Molweight | 311.347 |
| MonoisotopicMass | 311.117095 |
| CLogP | 3.6187 |
| CLogS | -6.053 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 247.64 |
| Relative PSA | 0.24612 |
| PolarSurfaceArea | 77.39 |
| Druglikeness | -4.7762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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