5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine

C6H4BrF3N2O2S — CID 121232220

IUPAC5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ncc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C6H4BrF3N2O2S/c1-15(13,14)5-11-2-3(7)4(12-5)6(8,9)10/h2H,1H3
InChIKeyKPYZFRSKRAWDNI-UHFFFAOYSA-N
MW305.08 g/mol
LogP1.66
Rot. Bonds1

About 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine

5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine (PubChem CID 121232220) has the molecular formula C6H4BrF3N2O2S and a molecular weight of 305.08 g/mol. Its IUPAC name is 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine
PubChem CID121232220
Molecular FormulaC6H4BrF3N2O2S
Molecular Weight305.08 g/mol
Exact Mass303.91
IUPAC Name5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ncc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C6H4BrF3N2O2S/c1-15(13,14)5-11-2-3(7)4(12-5)6(8,9)10/h2H,1H3
InChIKeyKPYZFRSKRAWDNI-UHFFFAOYSA-N
XLogP1.66
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 82382597
(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine
CID 163304288
5-bromo-2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 82374751
4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine
CID 135374327
4-chloro-5-iodo-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 90368988
trifluoro-(2-methylsulfonylpyrimidin-5-yl)boranuide
CID 71464092
4-(2-methoxyethoxy)-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine
CID 168893954
6-bromo-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 172528149
(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
CID 84721428
5-bromo-4-(trifluoromethyl)pyrimidin-2-amine;tert-butyl N-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 159028392
6-bromo-8-[(2-methylpropan-2-yl)oxy]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 58395568
tert-butyl N-[(1S)-1-(5-bromo-2-methylsulfonylpyrimidin-4-yl)-2-(3,5-difluorophenyl)ethyl]carbamate
CID 90290216

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine (CID 121232220) is 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1ncc(Br)c(C(F)(F)F)n1.
What is the InChIKey of 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is KPYZFRSKRAWDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2O2S/c1-15(13,14)5-11-2-3(7)4(12-5)6(8,9)10/h2H,1H3.
What are the key properties of 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine?
5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 305.08 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfonyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 121232220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).