N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Formula:C14H18N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| MolecularFormula | C14H18N4 |
| Smiles | C(CNc1ncnc2c1[nH]cc2)C1=CCCCC1 |
| InChI | InChI=1S/C14H18N4/c1-2-4-11(5-3-1)6-8-16-14-13-12(7-9-15-13)17-10-18-14/h4,7,9-10,15H,1-3,5-6,8H2,(H,16,17,18) |
| InChIK | WNJHJCKCHDRDGI-UHFFFAOYSA-N |
| TotalMolweight | 242.325 |
| Molweight | 242.325 |
| MonoisotopicMass | 242.153146 |
| CLogP | 2.357 |
| CLogS | -3.249 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 200.18 |
| Relative PSA | 0.23674 |
| PolarSurfaceArea | 53.6 |
| Druglikeness | -5.1033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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