2-(5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)ethanol
Formula:C8H10N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)ethanol is a drug-like molecule.
| MolName | 2-(5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)ethanol |
| MolecularFormula | C8H10N4O |
| Smiles | OCCNc1ncnc2c1[nH]cc2 |
| InChI | InChI=1S/C8H10N4O/c13-4-3-10-8-7-6(1-2-9-7)11-5-12-8/h1-2,5,9,13H,3-4H2,(H,10,11,12) |
| InChIK | VRTYNHUAGLAXJE-UHFFFAOYSA-N |
| TotalMolweight | 178.194 |
| Molweight | 178.194 |
| MonoisotopicMass | 178.085461 |
| CLogP | -0.2637 |
| CLogS | -1.41 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 140.28 |
| Relative PSA | 0.43121 |
| PolarSurfaceArea | 73.83 |
| Druglikeness | 0.0098826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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