4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine

C8H6F6N2S — CID 23237309

IUPAC4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
SMILESCc1nc(SC(F)(F)F)nc(C)c1C(F)(F)F
InChIInChI=1S/C8H6F6N2S/c1-3-5(7(9,10)11)4(2)16-6(15-3)17-8(12,13)14/h1-2H3
InChIKeyFANMCCNTLUPAPC-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.72
Rot. Bonds1

About 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine

4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine (PubChem CID 23237309) has the molecular formula C8H6F6N2S and a molecular weight of 276.21 g/mol. Its IUPAC name is 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
PubChem CID23237309
Molecular FormulaC8H6F6N2S
Molecular Weight276.21 g/mol
Exact Mass276.02
IUPAC Name4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine
SMILESCc1nc(SC(F)(F)F)nc(C)c1C(F)(F)F
InChIInChI=1S/C8H6F6N2S/c1-3-5(7(9,10)11)4(2)16-6(15-3)17-8(12,13)14/h1-2H3
InChIKeyFANMCCNTLUPAPC-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine (CID 23237309) is 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine is Cc1nc(SC(F)(F)F)nc(C)c1C(F)(F)F.
What is the InChIKey of 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
The InChIKey is FANMCCNTLUPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2S/c1-3-5(7(9,10)11)4(2)16-6(15-3)17-8(12,13)14/h1-2H3.
What are the key properties of 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine?
4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine has a molecular weight of 276.21 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(trifluoromethyl)-2-(trifluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 23237309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).