2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one

C12H10F3N3O2 — CID 118905848

IUPAC2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(Nc2ncc(C(F)(F)F)c(=O)[nH]2)cc1
InChIInChI=1S/C12H10F3N3O2/c1-20-8-4-2-7(3-5-8)17-11-16-6-9(10(19)18-11)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyQDFIENZOVTZSOU-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one

2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 118905848) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID118905848
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(Nc2ncc(C(F)(F)F)c(=O)[nH]2)cc1
InChIInChI=1S/C12H10F3N3O2/c1-20-8-4-2-7(3-5-8)17-11-16-6-9(10(19)18-11)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyQDFIENZOVTZSOU-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one (CID 118905848) is 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one is COc1ccc(Nc2ncc(C(F)(F)F)c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is QDFIENZOVTZSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-20-8-4-2-7(3-5-8)17-11-16-6-9(10(19)18-11)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 285.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-5-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 118905848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).