methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate

C14H12F2N2O4 — CID 141498833

IUPACmethyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1cc(-c2cccc(F)c2F)c(=O)n(C)c1=O
InChIInChI=1S/C14H12F2N2O4/c1-17-13(20)9(8-4-3-5-10(15)12(8)16)6-18(14(17)21)7-11(19)22-2/h3-6H,7H2,1-2H3
InChIKeyWBSLQLVZTGXRGN-UHFFFAOYSA-N
MW310.26 g/mol
LogP0.67
Rot. Bonds3

About methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate

methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate (PubChem CID 141498833) has the molecular formula C14H12F2N2O4 and a molecular weight of 310.26 g/mol. Its IUPAC name is methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate
PubChem CID141498833
Molecular FormulaC14H12F2N2O4
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Namemethyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1cc(-c2cccc(F)c2F)c(=O)n(C)c1=O
InChIInChI=1S/C14H12F2N2O4/c1-17-13(20)9(8-4-3-5-10(15)12(8)16)6-18(14(17)21)7-11(19)22-2/h3-6H,7H2,1-2H3
InChIKeyWBSLQLVZTGXRGN-UHFFFAOYSA-N
XLogP0.67
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate (CID 141498833) is methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate is COC(=O)Cn1cc(-c2cccc(F)c2F)c(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate?
The InChIKey is WBSLQLVZTGXRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4/c1-17-13(20)9(8-4-3-5-10(15)12(8)16)6-18(14(17)21)7-11(19)22-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate?
methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate has a molecular weight of 310.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,3-difluorophenyl)-3-methyl-2,4-dioxopyrimidin-1-yl]acetate is sourced from PubChem (CID 141498833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).