5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine

C8H5F3N4 — CID 86050140

IUPAC5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine
SMILESFC(F)(F)c1ncc(-c2cncnc2)[nH]1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-14-3-6(15-7)5-1-12-4-13-2-5/h1-4H,(H,14,15)
InChIKeyCAVVXPUAFYLOCE-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.89
Rot. Bonds1

About 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine

5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine (PubChem CID 86050140) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine
PubChem CID86050140
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine
SMILESFC(F)(F)c1ncc(-c2cncnc2)[nH]1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-14-3-6(15-7)5-1-12-4-13-2-5/h1-4H,(H,14,15)
InChIKeyCAVVXPUAFYLOCE-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine 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 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine?
The IUPAC name of 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine (CID 86050140) is 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine.
What is the SMILES notation for 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine?
The canonical SMILES for 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine is FC(F)(F)c1ncc(-c2cncnc2)[nH]1.
What is the InChIKey of 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine?
The InChIKey is CAVVXPUAFYLOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)7-14-3-6(15-7)5-1-12-4-13-2-5/h1-4H,(H,14,15).
What are the key properties of 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine?
5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine has a molecular weight of 214.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-1H-imidazol-5-yl]pyrimidine is sourced from PubChem (CID 86050140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).