2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine

C12H9F3N2OS — CID 1084317

IUPAC2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2OS/c1-19(18)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
InChIKeySTRRINIZRMCRFX-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.90
Rot. Bonds2

About 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine

2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 1084317) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID1084317
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2OS/c1-19(18)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
InChIKeySTRRINIZRMCRFX-UHFFFAOYSA-N
XLogP2.90
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-6-propylpyrimidine-2-carbonitrile
CID 46882093
4-Methyl-6-phenylpyrimidin-2-amine
CID 603940
2-[(4-Fluorobenzyl)sulfanyl]-4,6-dimethylpyrimidine
CID 823852
(4,6-Dimethylpyrimidin-2-yl)[3-(trifluoromethyl)phenyl]amine, chloride
CID 2969508
2-Methoxy-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 891604
2-(Methylsulfanyl)-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1255621
Ethyl {[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl}acetate
CID 1151859
2-[[4-(4-Fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl ester
CID 2980973
2-Methylsulfonyl-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 3236803
4-(4-(Methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 23497471
4-Propyl-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 46882092
4-Propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 46882095

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine (CID 1084317) is 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine is CS(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is STRRINIZRMCRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-19(18)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3.
What are the key properties of 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine?
2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 286.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-4-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1084317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).