2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C10H7F3N2O2S2 — CID 3245258

IUPAC2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H7F3N2O2S2/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
InChIKeyOACAJASVXJLTAT-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.63
Rot. Bonds2

About 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 3245258) has the molecular formula C10H7F3N2O2S2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID3245258
Molecular FormulaC10H7F3N2O2S2
Molecular Weight308.31 g/mol
Exact Mass307.99
IUPAC Name2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H7F3N2O2S2/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
InChIKeyOACAJASVXJLTAT-UHFFFAOYSA-N
XLogP2.63
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 2-(ethylsulfonyl)-4-(2-thienyl)-6-(trifluoromethyl)-
CID 17024838
4-Methyl-2-methylsulfonyl-6-thiophen-2-ylpyrimidine
CID 97755228
Ethyl 3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate
CID 134201900
2-(2-Phenylethylsulfonyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 134201967
2-(4-Methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 44456885
2-((4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid
CID 777466
3-(4-Thiophen-2-yl-6-trifluoromethyl-pyrimidine-2-sulfonyl)-propionic acid
CID 1133592
2-Methylsulfonyl-4,6-dithiophen-2-ylpyrimidine
CID 134201955
2-[(4-Phenylphenyl)methylsulfinyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 134201829
1-[2-[4-Thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one
CID 134201982
Methyl 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylbutanoate
CID 134201983
2-(2-Phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 134202039

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 3245258) is 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is OACAJASVXJLTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S2/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3.
What are the key properties of 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 308.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3245258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).