4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine

C7H6ClF3N2O2S — CID 123234339

IUPAC4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCc1c(Cl)nc(S(C)(=O)=O)nc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2O2S/c1-3-4(7(9,10)11)12-6(13-5(3)8)16(2,14)15/h1-2H3
InChIKeyWGYQAQBTIOWGDY-UHFFFAOYSA-N
MW274.65 g/mol
LogP1.86
Rot. Bonds1

About 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine

4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (PubChem CID 123234339) has the molecular formula C7H6ClF3N2O2S and a molecular weight of 274.65 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
PubChem CID123234339
Molecular FormulaC7H6ClF3N2O2S
Molecular Weight274.65 g/mol
Exact Mass273.98
IUPAC Name4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCc1c(Cl)nc(S(C)(=O)=O)nc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2O2S/c1-3-4(7(9,10)11)12-6(13-5(3)8)16(2,14)15/h1-2H3
InChIKeyWGYQAQBTIOWGDY-UHFFFAOYSA-N
XLogP1.86
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (CID 123234339) is 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is Cc1c(Cl)nc(S(C)(=O)=O)nc1C(F)(F)F.
What is the InChIKey of 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is WGYQAQBTIOWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S/c1-3-4(7(9,10)11)12-6(13-5(3)8)16(2,14)15/h1-2H3.
What are the key properties of 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 274.65 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 123234339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).