2-chloro-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
Formula:C11H13N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is a drug-like molecule.
| MolName | 2-chloro-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine |
| MolecularFormula | C11H13N4Cl |
| Smiles | Clc1nc(N2CCCCC2)c2[nH]ccc2n1 |
| InChI | InChI=1S/C11H13ClN4/c12-11-14-8-4-5-13-9(8)10(15-11)16-6-2-1-3-7-16/h4-5,13H,1-3,6-7H2 |
| InChIK | UIEWMRXYDCBIOT-UHFFFAOYSA-N |
| TotalMolweight | 236.705 |
| Molweight | 236.705 |
| MonoisotopicMass | 236.082873 |
| CLogP | 2.2908 |
| CLogS | -3.054 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 175.97 |
| Relative PSA | 0.22436 |
| PolarSurfaceArea | 44.81 |
| Druglikeness | 0.89641 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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