ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate

C10H12F2N2O4S — CID 176900964

IUPACethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1nc(C)cc(C(F)F)n1
InChIInChI=1S/C10H12F2N2O4S/c1-3-18-8(15)5-19(16,17)10-13-6(2)4-7(14-10)9(11)12/h4,9H,3,5H2,1-2H3
InChIKeyRMGWVKDCHZCHPC-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.06
Rot. Bonds5

About ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate

ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate (PubChem CID 176900964) has the molecular formula C10H12F2N2O4S and a molecular weight of 294.28 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate
PubChem CID176900964
Molecular FormulaC10H12F2N2O4S
Molecular Weight294.28 g/mol
Exact Mass294.05
IUPAC Nameethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)c1nc(C)cc(C(F)F)n1
InChIInChI=1S/C10H12F2N2O4S/c1-3-18-8(15)5-19(16,17)10-13-6(2)4-7(14-10)9(11)12/h4,9H,3,5H2,1-2H3
InChIKeyRMGWVKDCHZCHPC-UHFFFAOYSA-N
XLogP1.06
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450
ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134684334
ethyl 2-[6-(difluoromethyl)-4-fluoro-2-methyl-3-pyridinyl]acetate
CID 133104991
ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134673422
ethyl 2-[4-amino-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683959
ethyl 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134673251
ethyl 2-[3-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134674966
ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
CID 133101161
ethyl 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylacetate
CID 2980973
ethyl 2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfonylacetate
CID 6424782
ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134674935
ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134684145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate (CID 176900964) is ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate is CCOC(=O)CS(=O)(=O)c1nc(C)cc(C(F)F)n1.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate?
The InChIKey is RMGWVKDCHZCHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4S/c1-3-18-8(15)5-19(16,17)10-13-6(2)4-7(14-10)9(11)12/h4,9H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate?
ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate has a molecular weight of 294.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate is sourced from PubChem (CID 176900964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).