2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine

C6H5F3N2O3S — CID 155775789

IUPAC2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine
SMILESCS(=O)(=O)c1ncc(OC(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2O3S/c1-15(12,13)5-10-2-4(3-11-5)14-6(7,8)9/h2-3H,1H3
InChIKeyBZWCBTYPLABYRM-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.78
Rot. Bonds2

About 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine

2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine (PubChem CID 155775789) has the molecular formula C6H5F3N2O3S and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine
PubChem CID155775789
Molecular FormulaC6H5F3N2O3S
Molecular Weight242.18 g/mol
Exact Mass242.00
IUPAC Name2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine
SMILESCS(=O)(=O)c1ncc(OC(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2O3S/c1-15(12,13)5-10-2-4(3-11-5)14-6(7,8)9/h2-3H,1H3
InChIKeyBZWCBTYPLABYRM-UHFFFAOYSA-N
XLogP0.78
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine?
The IUPAC name of 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine (CID 155775789) is 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine is CS(=O)(=O)c1ncc(OC(F)(F)F)cn1.
What is the InChIKey of 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine?
The InChIKey is BZWCBTYPLABYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O3S/c1-15(12,13)5-10-2-4(3-11-5)14-6(7,8)9/h2-3H,1H3.
What are the key properties of 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine?
2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine has a molecular weight of 242.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 155775789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).