2,4-dimethyl-7-naphthalen-2-ylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
Formula:C20H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dimethyl-7-naphthalen-2-ylpyrrolo[1,2-a]pyrimidine-8-carbonitrile is a drug-like molecule.
| MolName | 2,4-dimethyl-7-naphthalen-2-ylpyrrolo[1,2-a]pyrimidine-8-carbonitrile |
| MolecularFormula | C20H15N3 |
| Smiles | Cc(n1cc2-c3cc4ccccc4cc3)cc(C)nc1c2C#N |
| InChI | InChI=1S/C20H15N3/c1-13-9-14(2)23-12-19(18(11-21)20(23)22-13)17-8-7-15-5-3-4-6-16(15)10-17/h3-10,12H,1-2H3 |
| InChIK | LWVJWBZAOLFKJW-UHFFFAOYSA-N |
| TotalMolweight | 297.36 |
| Molweight | 297.36 |
| MonoisotopicMass | 297.126597 |
| CLogP | 4.0871 |
| CLogS | -8.098 |
| H Acceptors | 3 |
| TotalSurfaceArea | 237.86 |
| Relative PSA | 0.13655 |
| PolarSurfaceArea | 41.09 |
| Druglikeness | -2.4468 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2,4-dimethyl-7-naphthalen-2-ylpyrrolo[1,2-a]pyrimidine-8-carbonitrile | 2 - 2,4-dimethyl-7-naphthalen-2-ylpyrrolo[1,2-a]pyrimidine-8-carbonitrile
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