4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine

C8H4ClF3N4S — CID 107780733

IUPAC4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(Sc2ncc[nH]2)n1
InChIInChI=1S/C8H4ClF3N4S/c9-4-3-5(17-7-13-1-2-14-7)16-6(15-4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyHJQBTSAYRQTBKM-UHFFFAOYSA-N
MW280.66 g/mol
LogP3.02
Rot. Bonds2

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

4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 107780733) has the molecular formula C8H4ClF3N4S and a molecular weight of 280.66 g/mol. Its IUPAC name is 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
PubChem CID107780733
Molecular FormulaC8H4ClF3N4S
Molecular Weight280.66 g/mol
Exact Mass279.98
IUPAC Name4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(Sc2ncc[nH]2)n1
InChIInChI=1S/C8H4ClF3N4S/c9-4-3-5(17-7-13-1-2-14-7)16-6(15-4)8(10,11)12/h1-3H,(H,13,14)
InChIKeyHJQBTSAYRQTBKM-UHFFFAOYSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine (CID 107780733) is 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(Sc2ncc[nH]2)n1.
What is the InChIKey of 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is HJQBTSAYRQTBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4S/c9-4-3-5(17-7-13-1-2-14-7)16-6(15-4)8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 280.66 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 107780733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).