5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid

C13H14N2O5 — CID 66328136

IUPAC5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCCc1cn(Cc2cc(C)c(C(=O)O)o2)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O5/c1-3-8-5-15(13(19)14-11(8)16)6-9-4-7(2)10(20-9)12(17)18/h4-5H,3,6H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyAZOODBNWFMYROR-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.75
Rot. Bonds4

About 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid

5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 66328136) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID66328136
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCCc1cn(Cc2cc(C)c(C(=O)O)o2)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O5/c1-3-8-5-15(13(19)14-11(8)16)6-9-4-7(2)10(20-9)12(17)18/h4-5H,3,6H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyAZOODBNWFMYROR-UHFFFAOYSA-N
XLogP0.75
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 66328558
5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 63557187
5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione
CID 66330134
4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]benzoic acid
CID 66328535
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 61238146
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934
2-methyl-5-[(5-nitro-2,4-dioxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 63800272
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66323855
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 60873481
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 104967824
3-methyl-5-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid
CID 63002732
5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione
CID 79395673

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid (CID 66328136) is 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid is CCc1cn(Cc2cc(C)c(C(=O)O)o2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is AZOODBNWFMYROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-3-8-5-15(13(19)14-11(8)16)6-9-4-7(2)10(20-9)12(17)18/h4-5H,3,6H2,1-2H3,(H,17,18)(H,14,16,19).
What are the key properties of 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 66328136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).