| MolName | methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate |
| MolecularFormula | C11H15N4O2Cl |
| Smiles | COC(C(CC1)CCN1c1cc(Cl)nc(N)n1)=O |
| InChI | InChI=1S/C11H15ClN4O2/c1-18-10(17)7-2-4-16(5-3-7)9-6-8(12)14-11(13)15-9/h6-7H,2-5H2,1H3,(H2,13,14,15) |
| InChIK | ATFYGPORNCPDNP-UHFFFAOYSA-N |
| TotalMolweight | 270.719 |
| Molweight | 270.719 |
| MonoisotopicMass | 270.088353 |
| CLogP | 1.0973 |
| CLogS | -2.738 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 199.07 |
| Relative PSA | 0.32049 |
| PolarSurfaceArea | 81.34 |
| Druglikeness | 1.9386 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate | 2 - methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate