2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid

C8H7F3N2O2S — CID 43625010

IUPAC2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(SC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2S/c1-3-5(7(14)15)6(13-4(2)12-3)16-8(9,10)11/h1-2H3,(H,14,15)
InChIKeyVFEOOVPRPMHPTE-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.40
Rot. Bonds2

About 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid

2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid (PubChem CID 43625010) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid
PubChem CID43625010
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC Name2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(SC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2S/c1-3-5(7(14)15)6(13-4(2)12-3)16-8(9,10)11/h1-2H3,(H,14,15)
InChIKeyVFEOOVPRPMHPTE-UHFFFAOYSA-N
XLogP2.40
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid (CID 43625010) is 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid is Cc1nc(C)c(C(=O)O)c(SC(F)(F)F)n1.
What is the InChIKey of 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid?
The InChIKey is VFEOOVPRPMHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c1-3-5(7(14)15)6(13-4(2)12-3)16-8(9,10)11/h1-2H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid?
2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid has a molecular weight of 252.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43625010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).