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

C9H9F3N2O2S — CID 135374327

IUPAC4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C9H9F3N2O2S/c1-17(15,16)8-13-4-6(9(10,11)12)7(14-8)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyIQWITMOTCAUGHE-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.78
Rot. Bonds2

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

4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine (PubChem CID 135374327) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine
PubChem CID135374327
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C9H9F3N2O2S/c1-17(15,16)8-13-4-6(9(10,11)12)7(14-8)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyIQWITMOTCAUGHE-UHFFFAOYSA-N
XLogP1.78
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine (CID 135374327) is 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is IQWITMOTCAUGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-17(15,16)8-13-4-6(9(10,11)12)7(14-8)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine?
4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 266.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methylsulfonyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 135374327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).