2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine

C7H7F3N2S2 — CID 67436703

IUPAC2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine
SMILESCSc1ncc(C(F)(F)F)c(SC)n1
InChIInChI=1S/C7H7F3N2S2/c1-13-5-4(7(8,9)10)3-11-6(12-5)14-2/h3H,1-2H3
InChIKeyVLQDDUXHVHHXGB-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.94
Rot. Bonds2

About 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine

2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 67436703) has the molecular formula C7H7F3N2S2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine
PubChem CID67436703
Molecular FormulaC7H7F3N2S2
Molecular Weight240.28 g/mol
Exact Mass240.00
IUPAC Name2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine
SMILESCSc1ncc(C(F)(F)F)c(SC)n1
InChIInChI=1S/C7H7F3N2S2/c1-13-5-4(7(8,9)10)3-11-6(12-5)14-2/h3H,1-2H3
InChIKeyVLQDDUXHVHHXGB-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine (CID 67436703) is 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine is CSc1ncc(C(F)(F)F)c(SC)n1.
What is the InChIKey of 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is VLQDDUXHVHHXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S2/c1-13-5-4(7(8,9)10)3-11-6(12-5)14-2/h3H,1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine?
2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 240.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 67436703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).