4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine

C11H8ClFN2S2 — CID 1484269

IUPAC4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C11H8ClFN2S2/c1-16-11-14-9(12)6-10(15-11)17-8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyPRORDBKKBLUMBF-UHFFFAOYSA-N
MW286.78 g/mol
LogP4.14
Rot. Bonds3

About 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine

4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine (PubChem CID 1484269) has the molecular formula C11H8ClFN2S2 and a molecular weight of 286.78 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine
PubChem CID1484269
Molecular FormulaC11H8ClFN2S2
Molecular Weight286.78 g/mol
Exact Mass285.98
IUPAC Name4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C11H8ClFN2S2/c1-16-11-14-9(12)6-10(15-11)17-8-4-2-7(13)3-5-8/h2-6H,1H3
InChIKeyPRORDBKKBLUMBF-UHFFFAOYSA-N
XLogP4.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine (CID 1484269) is 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(Sc2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine?
The InChIKey is PRORDBKKBLUMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2S2/c1-16-11-14-9(12)6-10(15-11)17-8-4-2-7(13)3-5-8/h2-6H,1H3.
What are the key properties of 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine?
4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine has a molecular weight of 286.78 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 1484269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).