2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one

C13H10Cl2F3N3O — CID 18549210

IUPAC2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCn1c(Nc2cc(Cl)ccc2Cl)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C13H10Cl2F3N3O/c1-2-21-11(22)6-10(13(16,17)18)20-12(21)19-9-5-7(14)3-4-8(9)15/h3-6H,2H2,1H3,(H,19,20)
InChIKeyXWESGMXRZNBNNX-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.33
Rot. Bonds3

About 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one

2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 18549210) has the molecular formula C13H10Cl2F3N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID18549210
Molecular FormulaC13H10Cl2F3N3O
Molecular Weight352.14 g/mol
Exact Mass351.02
IUPAC Name2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCn1c(Nc2cc(Cl)ccc2Cl)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C13H10Cl2F3N3O/c1-2-21-11(22)6-10(13(16,17)18)20-12(21)19-9-5-7(14)3-4-8(9)15/h3-6H,2H2,1H3,(H,19,20)
InChIKeyXWESGMXRZNBNNX-UHFFFAOYSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one (CID 18549210) is 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one is CCn1c(Nc2cc(Cl)ccc2Cl)nc(C(F)(F)F)cc1=O.
What is the InChIKey of 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is XWESGMXRZNBNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O/c1-2-21-11(22)6-10(13(16,17)18)20-12(21)19-9-5-7(14)3-4-8(9)15/h3-6H,2H2,1H3,(H,19,20).
What are the key properties of 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one?
2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 352.14 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 18549210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).