4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine

C7H8ClFN2S — CID 91248195

IUPAC4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(C)c(CF)n1
InChIInChI=1S/C7H8ClFN2S/c1-4-5(3-9)10-7(12-2)11-6(4)8/h3H2,1-2H3
InChIKeyJOGAJBIZMUGNKI-UHFFFAOYSA-N
MW206.67 g/mol
LogP2.63
Rot. Bonds2

About 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine

4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine (PubChem CID 91248195) has the molecular formula C7H8ClFN2S and a molecular weight of 206.67 g/mol. Its IUPAC name is 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine
PubChem CID91248195
Molecular FormulaC7H8ClFN2S
Molecular Weight206.67 g/mol
Exact Mass206.01
IUPAC Name4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(C)c(CF)n1
InChIInChI=1S/C7H8ClFN2S/c1-4-5(3-9)10-7(12-2)11-6(4)8/h3H2,1-2H3
InChIKeyJOGAJBIZMUGNKI-UHFFFAOYSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine (CID 91248195) is 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine is CSc1nc(Cl)c(C)c(CF)n1.
What is the InChIKey of 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine?
The InChIKey is JOGAJBIZMUGNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2S/c1-4-5(3-9)10-7(12-2)11-6(4)8/h3H2,1-2H3.
What are the key properties of 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine?
4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine has a molecular weight of 206.67 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(fluoromethyl)-5-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 91248195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).