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

C8H4ClF3N4S — CID 107780749

IUPAC2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Sc2ncc[nH]2)nc(Cl)n1
InChIInChI=1S/C8H4ClF3N4S/c9-6-15-4(8(10,11)12)3-5(16-6)17-7-13-1-2-14-7/h1-3H,(H,13,14)
InChIKeyRYOAWTQPWUWJDH-UHFFFAOYSA-N
MW280.66 g/mol
LogP3.02
Rot. Bonds2

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

2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 107780749) has the molecular formula C8H4ClF3N4S and a molecular weight of 280.66 g/mol. Its IUPAC name is 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine
PubChem CID107780749
Molecular FormulaC8H4ClF3N4S
Molecular Weight280.66 g/mol
Exact Mass279.98
IUPAC Name2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Sc2ncc[nH]2)nc(Cl)n1
InChIInChI=1S/C8H4ClF3N4S/c9-6-15-4(8(10,11)12)3-5(16-6)17-7-13-1-2-14-7/h1-3H,(H,13,14)
InChIKeyRYOAWTQPWUWJDH-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 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine (CID 107780749) is 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Sc2ncc[nH]2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is RYOAWTQPWUWJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4S/c9-6-15-4(8(10,11)12)3-5(16-6)17-7-13-1-2-14-7/h1-3H,(H,13,14).
What are the key properties of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(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 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 107780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).