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

C7H7F3N2S — CID 123446288

IUPAC4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCSc1ncc(C(F)(F)F)c(C)n1
InChIInChI=1S/C7H7F3N2S/c1-4-5(7(8,9)10)3-11-6(12-4)13-2/h3H,1-2H3
InChIKeyQXCYVXSZFRILON-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.53
Rot. Bonds1

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

4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine (PubChem CID 123446288) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
PubChem CID123446288
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCSc1ncc(C(F)(F)F)c(C)n1
InChIInChI=1S/C7H7F3N2S/c1-4-5(7(8,9)10)3-11-6(12-4)13-2/h3H,1-2H3
InChIKeyQXCYVXSZFRILON-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 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine (CID 123446288) is 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine is CSc1ncc(C(F)(F)F)c(C)n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is QXCYVXSZFRILON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-4-5(7(8,9)10)3-11-6(12-4)13-2/h3H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
4-methyl-2-methylsulfanyl-5-(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 4-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 123446288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).