5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one

C15H6Cl2F9N3O — CID 139907577

IUPAC5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(Nc2cc(C(F)(F)F)c(Cl)cc2C(F)(F)F)nc(C(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C15H6Cl2F9N3O/c1-2-29-11(30)9(17)10(15(24,25)26)28-12(29)27-8-4-5(13(18,19)20)7(16)3-6(8)14(21,22)23/h2-4H,1H2,(H,27,28)
InChIKeyLGWIIOFLHDCXAE-UHFFFAOYSA-N
MW486.12 g/mol
LogP6.45
Rot. Bonds3

About 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one

5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 139907577) has the molecular formula C15H6Cl2F9N3O and a molecular weight of 486.12 g/mol. Its IUPAC name is 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID139907577
Molecular FormulaC15H6Cl2F9N3O
Molecular Weight486.12 g/mol
Exact Mass484.97
IUPAC Name5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(Nc2cc(C(F)(F)F)c(Cl)cc2C(F)(F)F)nc(C(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C15H6Cl2F9N3O/c1-2-29-11(30)9(17)10(15(24,25)26)28-12(29)27-8-4-5(13(18,19)20)7(16)3-6(8)14(21,22)23/h2-4H,1H2,(H,27,28)
InChIKeyLGWIIOFLHDCXAE-UHFFFAOYSA-N
XLogP6.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.12
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-[2,4-dibromo-3,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907506
5-chloro-2-[2-chloro-5-(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907579
2-(4-bromo-2-fluoroanilino)-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907662
2-[2,4-bis(trifluoromethyl)anilino]-5-chloro-3-(3,5-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 139907589
2-[2,4-bis(trifluoromethyl)anilino]-5-chloro-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 18549220
[[2,4-bis(trifluoromethyl)phenyl]-[[5-chloro-1-ethenyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl] 2,2-dimethylpropanoate
CID 139907513
2-[2,4-bis(trifluoromethyl)anilino]-5-chloro-3-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 139907582
2-[2,5-bis(trifluoromethyl)anilino]-5-chloro-3-cyclohexyl-6-(trifluoromethyl)pyrimidin-4-one
CID 18549230
[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine
CID 156702121
3,4,6-trichloro-2-(trifluoromethyl)pyridine
CID 171506095
2-[2,5-bis(trifluoromethyl)anilino]-3-butan-2-yl-5-chloro-6-(trifluoromethyl)pyrimidin-4-one;2-[2,5-bis(trifluoromethyl)anilino]-3-butan-2-yl-6-(trifluoromethyl)pyrimidin-4-one
CID 159250957
2-(4,5-dimethyl-2-nitroanilino)-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907699

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one (CID 139907577) is 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one is C=Cn1c(Nc2cc(C(F)(F)F)c(Cl)cc2C(F)(F)F)nc(C(F)(F)F)c(Cl)c1=O.
What is the InChIKey of 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is LGWIIOFLHDCXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl2F9N3O/c1-2-29-11(30)9(17)10(15(24,25)26)28-12(29)27-8-4-5(13(18,19)20)7(16)3-6(8)14(21,22)23/h2-4H,1H2,(H,27,28).
What are the key properties of 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 486.12 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-chloro-2,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 139907577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).