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

C8H4ClF3N4 — CID 114562950

IUPAC2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-n2ccnc2)nc(Cl)n1
InChIInChI=1S/C8H4ClF3N4/c9-7-14-5(8(10,11)12)3-6(15-7)16-2-1-13-4-16/h1-4H
InChIKeyBKWBNBCGFBJWSQ-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

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

2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 114562950) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID114562950
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-n2ccnc2)nc(Cl)n1
InChIInChI=1S/C8H4ClF3N4/c9-7-14-5(8(10,11)12)3-6(15-7)16-2-1-13-4-16/h1-4H
InChIKeyBKWBNBCGFBJWSQ-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

4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768557
2-imidazol-1-yl-6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 141185313
2-imidazol-1-yl-6-(trifluoromethyl)pyridine
CID 53217359
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
N-ethyl-6-imidazol-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102719535
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 114562975
6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719533
2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62870806
2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 114562711
2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562968
4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562532
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine (CID 114562950) is 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-n2ccnc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is BKWBNBCGFBJWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-7-14-5(8(10,11)12)3-6(15-7)16-2-1-13-4-16/h1-4H.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine?
2-chloro-4-imidazol-1-yl-6-(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 2-chloro-4-imidazol-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).