5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine

C12H10F4N4O2S — CID 139637204

IUPAC5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine
SMILESO=S(=O)(CCc1cnc(F)nc1F)CCc1cnc(F)nc1F
InChIInChI=1S/C12H10F4N4O2S/c13-9-7(5-17-11(15)19-9)1-3-23(21,22)4-2-8-6-18-12(16)20-10(8)14/h5-6H,1-4H2
InChIKeyDICUMJPNIHDUMK-UHFFFAOYSA-N
MW350.30 g/mol
LogP1.02
Rot. Bonds6

About 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine

5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine (PubChem CID 139637204) has the molecular formula C12H10F4N4O2S and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine.

Molecular Properties

Compound Name5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine
PubChem CID139637204
Molecular FormulaC12H10F4N4O2S
Molecular Weight350.30 g/mol
Exact Mass350.05
IUPAC Name5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine
SMILESO=S(=O)(CCc1cnc(F)nc1F)CCc1cnc(F)nc1F
InChIInChI=1S/C12H10F4N4O2S/c13-9-7(5-17-11(15)19-9)1-3-23(21,22)4-2-8-6-18-12(16)20-10(8)14/h5-6H,1-4H2
InChIKeyDICUMJPNIHDUMK-UHFFFAOYSA-N
XLogP1.02
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine?
The IUPAC name of 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine (CID 139637204) is 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine.
What is the SMILES notation for 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine?
The canonical SMILES for 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine is O=S(=O)(CCc1cnc(F)nc1F)CCc1cnc(F)nc1F.
What is the InChIKey of 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine?
The InChIKey is DICUMJPNIHDUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4O2S/c13-9-7(5-17-11(15)19-9)1-3-23(21,22)4-2-8-6-18-12(16)20-10(8)14/h5-6H,1-4H2.
What are the key properties of 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine?
5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine has a molecular weight of 350.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2,4-difluoropyrimidin-5-yl)ethylsulfonyl]ethyl]-2,4-difluoropyrimidine is sourced from PubChem (CID 139637204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).