N-[(Z)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine
Formula:C14H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-6-piperidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C14H17N5O |
| Smiles | C(CC1)CCN1c1cc(N/N=C\c2ccco2)ncn1 |
| InChI | InChI=1S/C14H17N5O/c1-2-6-19(7-3-1)14-9-13(15-11-16-14)18-17-10-12-5-4-8-20-12/h4-5,8-11H,1-3,6-7H2,(H,15,16,18) |
| InChIK | CVKGJUIGFMCKBY-UHFFFAOYSA-N |
| TotalMolweight | 271.323 |
| Molweight | 271.323 |
| MonoisotopicMass | 271.14331 |
| CLogP | 4.0022 |
| CLogS | -3.869 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 222.05 |
| Relative PSA | 0.28178 |
| PolarSurfaceArea | 66.55 |
| Druglikeness | 2.2189 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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