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

C11H8ClFN2S — CID 62481347

IUPAC4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Sc2ccccc2F)n1
InChIInChI=1S/C11H8ClFN2S/c1-7-14-10(12)6-11(15-7)16-9-5-3-2-4-8(9)13/h2-6H,1H3
InChIKeySYDJGWYLSJBAPL-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.73
Rot. Bonds2

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

4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine (PubChem CID 62481347) has the molecular formula C11H8ClFN2S and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine
PubChem CID62481347
Molecular FormulaC11H8ClFN2S
Molecular Weight254.72 g/mol
Exact Mass254.01
IUPAC Name4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Sc2ccccc2F)n1
InChIInChI=1S/C11H8ClFN2S/c1-7-14-10(12)6-11(15-7)16-9-5-3-2-4-8(9)13/h2-6H,1H3
InChIKeySYDJGWYLSJBAPL-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine (CID 62481347) is 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine is Cc1nc(Cl)cc(Sc2ccccc2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine?
The InChIKey is SYDJGWYLSJBAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2S/c1-7-14-10(12)6-11(15-7)16-9-5-3-2-4-8(9)13/h2-6H,1H3.
What are the key properties of 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine?
4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine has a molecular weight of 254.72 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluorophenyl)sulfanyl-2-methylpyrimidine is sourced from PubChem (CID 62481347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).