2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine

C11H6ClF3N2S — CID 118498168

IUPAC2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1Sc1ccccc1
InChIInChI=1S/C11H6ClF3N2S/c12-10-16-6-8(11(13,14)15)9(17-10)18-7-4-2-1-3-5-7/h1-6H
InChIKeyXUSHLEMYTNMABK-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine

2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine (PubChem CID 118498168) has the molecular formula C11H6ClF3N2S and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine
PubChem CID118498168
Molecular FormulaC11H6ClF3N2S
Molecular Weight290.70 g/mol
Exact Mass289.99
IUPAC Name2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(Cl)nc1Sc1ccccc1
InChIInChI=1S/C11H6ClF3N2S/c12-10-16-6-8(11(13,14)15)9(17-10)18-7-4-2-1-3-5-7/h1-6H
InChIKeyXUSHLEMYTNMABK-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine (CID 118498168) is 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(Cl)nc1Sc1ccccc1.
What is the InChIKey of 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is XUSHLEMYTNMABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2S/c12-10-16-6-8(11(13,14)15)9(17-10)18-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine?
2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 290.70 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118498168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).