4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine

C8H4ClF3N4 — CID 106768557

IUPAC4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(-n2ccnc2)n1
InChIInChI=1S/C8H4ClF3N4/c9-5-3-6(16-2-1-13-4-16)15-7(14-5)8(10,11)12/h1-4H
InChIKeyGNGZQTMAGIRDQX-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine

4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 106768557) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
PubChem CID106768557
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(-n2ccnc2)n1
InChIInChI=1S/C8H4ClF3N4/c9-5-3-6(16-2-1-13-4-16)15-7(14-5)8(10,11)12/h1-4H
InChIKeyGNGZQTMAGIRDQX-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
CID 114562950
4-chloro-6-imidazol-1-yl-2-propylpyrimidine
CID 80945862
4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane
CID 142040016
4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768588
6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767357
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768572
4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768563
2-imidazol-1-yl-6-(trifluoromethyl)pyridine
CID 53217359
2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 141185313
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
N-ethyl-6-imidazol-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102719535

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine (CID 106768557) is 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is GNGZQTMAGIRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-5-3-6(16-2-1-13-4-16)15-7(14-5)8(10,11)12/h1-4H.
What are the key properties of 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 248.60 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).