2-amino-3-[(Z)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
Formula:C15H10N4O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-[(Z)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one is a drug-like molecule.
| MolName | 2-amino-3-[(Z)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one |
| MolecularFormula | C15H10N4O2ClF3 |
| Smiles | C#CCOc(cc1)c(/C=N\N2C(N)=NC(C(F)(F)F)=CC2=O)cc1Cl |
| InChI | InChI=1S/C15H10ClF3N4O2/c1-2-5-25-11-4-3-10(16)6-9(11)8-21-23-13(24)7-12(15(17,18)19)22-14(23)20/h1,3-4,6-8H,5H2,(H2,20,22) |
| InChIK | FAZRIWOZPJZWEH-UHFFFAOYSA-N |
| TotalMolweight | 370.717 |
| Molweight | 370.717 |
| MonoisotopicMass | 370.044437 |
| CLogP | 2.095 |
| CLogS | -5.361 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 261.22 |
| Relative PSA | 0.24837 |
| PolarSurfaceArea | 80.28 |
| Druglikeness | -4.3574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-amino-3-[(Z)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one | 2 - 2-amino-3-[(Z)-(5-chloro-2-prop-2-ynoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
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