| MolName | 2-chloro-N-(2-cyclohexylethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| MolecularFormula | C14H19N4Cl |
| Smiles | Clc1nc(NCCC2CCCCC2)c2[nH]ccc2n1 |
| InChI | InChI=1S/C14H19ClN4/c15-14-18-11-7-9-16-12(11)13(19-14)17-8-6-10-4-2-1-3-5-10/h7,9-10,16H,1-6,8H2,(H,17,18,19) |
| InChIK | ARLXCRCXELWQPE-UHFFFAOYSA-N |
| TotalMolweight | 278.786 |
| Molweight | 278.786 |
| MonoisotopicMass | 278.129823 |
| CLogP | 3.3096 |
| CLogS | -4.018 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 217.15 |
| Relative PSA | 0.21824 |
| PolarSurfaceArea | 53.6 |
| Druglikeness | -4.085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-N-(2-cyclohexylethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine | 2 - 2-chloro-N-(2-cyclohexylethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine