4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine

C11H6Cl2FIN2S — CID 66316422

IUPAC4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine
SMILESFc1ccccc1SCc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C11H6Cl2FIN2S/c12-10-9(15)11(13)17-8(16-10)5-18-7-4-2-1-3-6(7)14/h1-4H,5H2
InChIKeyUEXYZVXUKYBPAA-UHFFFAOYSA-N
MW415.06 g/mol
LogP4.82
Rot. Bonds3

About 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine

4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine (PubChem CID 66316422) has the molecular formula C11H6Cl2FIN2S and a molecular weight of 415.06 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine
PubChem CID66316422
Molecular FormulaC11H6Cl2FIN2S
Molecular Weight415.06 g/mol
Exact Mass413.87
IUPAC Name4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine
SMILESFc1ccccc1SCc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C11H6Cl2FIN2S/c12-10-9(15)11(13)17-8(16-10)5-18-7-4-2-1-3-6(7)14/h1-4H,5H2
InChIKeyUEXYZVXUKYBPAA-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.06
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 80550431
4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidine
CID 66293770
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 66052660
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-methylpyrimidin-4-amine
CID 66305099
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302611
3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66053977
4-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-1,3,5-triazin-2-amine
CID 66085806
[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine
CID 114245147
1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene
CID 65491729
2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66053879
[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 66085611

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine?
The IUPAC name of 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine (CID 66316422) is 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine is Fc1ccccc1SCc1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine?
The InChIKey is UEXYZVXUKYBPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FIN2S/c12-10-9(15)11(13)17-8(16-10)5-18-7-4-2-1-3-6(7)14/h1-4H,5H2.
What are the key properties of 4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine?
4,6-dichloro-2-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine has a molecular weight of 415.06 g/mol, XLogP of 4.82, 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-[(2-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine is sourced from PubChem (CID 66316422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).