5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine

C7H7F3N2S — CID 43829380

IUPAC5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCSc1nc(C(F)(F)F)ncc1C
InChIInChI=1S/C7H7F3N2S/c1-4-3-11-6(7(8,9)10)12-5(4)13-2/h3H,1-2H3
InChIKeyKLZXOFFEJPLVSD-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.53
Rot. Bonds1

About 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine

5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine (PubChem CID 43829380) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine
PubChem CID43829380
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCSc1nc(C(F)(F)F)ncc1C
InChIInChI=1S/C7H7F3N2S/c1-4-3-11-6(7(8,9)10)12-5(4)13-2/h3H,1-2H3
InChIKeyKLZXOFFEJPLVSD-UHFFFAOYSA-N
XLogP2.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine (CID 43829380) is 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine is CSc1nc(C(F)(F)F)ncc1C.
What is the InChIKey of 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is KLZXOFFEJPLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-4-3-11-6(7(8,9)10)12-5(4)13-2/h3H,1-2H3.
What are the key properties of 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine?
5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 208.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfanyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 43829380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).