4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine

C13H13FN2S — CID 23611369

IUPAC4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine
SMILESCc1cc(SCc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C13H13FN2S/c1-9-7-13(16-10(2)15-9)17-8-11-3-5-12(14)6-4-11/h3-7H,8H2,1-2H3
InChIKeyFQIOGJRBZLSIGL-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.52
Rot. Bonds3

About 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine

4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine (PubChem CID 23611369) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine
PubChem CID23611369
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine
SMILESCc1cc(SCc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C13H13FN2S/c1-9-7-13(16-10(2)15-9)17-8-11-3-5-12(14)6-4-11/h3-7H,8H2,1-2H3
InChIKeyFQIOGJRBZLSIGL-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine (CID 23611369) is 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine is Cc1cc(SCc2ccc(F)cc2)nc(C)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine?
The InChIKey is FQIOGJRBZLSIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c1-9-7-13(16-10(2)15-9)17-8-11-3-5-12(14)6-4-11/h3-7H,8H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine?
4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine has a molecular weight of 248.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 23611369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).