4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine

C11H6Cl3FN2S — CID 80550233

IUPAC4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
SMILESFc1c(Cl)nc(CSc2cccc(Cl)c2)nc1Cl
InChIInChI=1S/C11H6Cl3FN2S/c12-6-2-1-3-7(4-6)18-5-8-16-10(13)9(15)11(14)17-8/h1-4H,5H2
InChIKeyRGTYEJHJNJQMIJ-UHFFFAOYSA-N
MW323.61 g/mol
LogP4.87
Rot. Bonds3

About 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine

4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine (PubChem CID 80550233) has the molecular formula C11H6Cl3FN2S and a molecular weight of 323.61 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
PubChem CID80550233
Molecular FormulaC11H6Cl3FN2S
Molecular Weight323.61 g/mol
Exact Mass321.93
IUPAC Name4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
SMILESFc1c(Cl)nc(CSc2cccc(Cl)c2)nc1Cl
InChIInChI=1S/C11H6Cl3FN2S/c12-6-2-1-3-7(4-6)18-5-8-16-10(13)9(15)11(14)17-8/h1-4H,5H2
InChIKeyRGTYEJHJNJQMIJ-UHFFFAOYSA-N
XLogP4.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine
CID 1484267
2,4-Dichloro-6-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
CID 57427822
4-Chloro-6-[fluoro(phenylsulfanyl)methyl]-2-methylpyrimidine
CID 139914109
2,4-Dichloro-6-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine
CID 177962118
4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine
CID 1484269
4-Chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-2-amine
CID 47151415
4-Chloro-6-(2,4-difluorophenyl)sulfanylpyrimidin-2-amine
CID 47151416
4-Chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
CID 47159001
4-Chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine
CID 47159164
4-Chloro-6-(2,4-difluorophenyl)sulfanyl-2-methylpyrimidine
CID 52352435
4-Chloro-6-(3,4-difluorophenyl)sulfanyl-2-methylpyrimidine
CID 52352436
4-Chloro-6-(4-fluorophenyl)sulfanyl-2-methylpyrimidine
CID 52352445

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine (CID 80550233) is 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine is Fc1c(Cl)nc(CSc2cccc(Cl)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine?
The InChIKey is RGTYEJHJNJQMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3FN2S/c12-6-2-1-3-7(4-6)18-5-8-16-10(13)9(15)11(14)17-8/h1-4H,5H2.
What are the key properties of 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine?
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine has a molecular weight of 323.61 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine is sourced from PubChem (CID 80550233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).