6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
Formula:C7H10N3ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine is a drug-like molecule.
| MolName | 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine |
| MolecularFormula | C7H10N3ClS |
| Smiles | CCNc1cc(Cl)nc(SC)n1 |
| InChI | InChI=1S/C7H10ClN3S/c1-3-9-6-4-5(8)10-7(11-6)12-2/h4H,3H2,1-2H3,(H,9,10,11) |
| InChIK | DSESJTDYBTVWQY-UHFFFAOYSA-N |
| TotalMolweight | 203.696 |
| Molweight | 203.696 |
| MonoisotopicMass | 203.028394 |
| CLogP | 1.9238 |
| CLogS | -2.613 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 153.43 |
| Relative PSA | 0.33168 |
| PolarSurfaceArea | 63.11 |
| Druglikeness | -0.024538 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine | 2 - 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off