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

C11H9FN2O5 — CID 63557187

IUPAC5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(Cn2cc(F)c(=O)[nH]c2=O)oc1C(=O)O
InChIInChI=1S/C11H9FN2O5/c1-5-2-6(19-8(5)10(16)17)3-14-4-7(12)9(15)13-11(14)18/h2,4H,3H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyIFUMFFBYRLQQSY-UHFFFAOYSA-N
MW268.20 g/mol
LogP0.32
Rot. Bonds3

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

5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 63557187) has the molecular formula C11H9FN2O5 and a molecular weight of 268.20 g/mol. Its IUPAC name is 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID63557187
Molecular FormulaC11H9FN2O5
Molecular Weight268.20 g/mol
Exact Mass268.05
IUPAC Name5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(Cn2cc(F)c(=O)[nH]c2=O)oc1C(=O)O
InChIInChI=1S/C11H9FN2O5/c1-5-2-6(19-8(5)10(16)17)3-14-4-7(12)9(15)13-11(14)18/h2,4H,3H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyIFUMFFBYRLQQSY-UHFFFAOYSA-N
XLogP0.32
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 50.32
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-carboxylic acid
CID 66328136
5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 63559199
5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 66328558
5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43620983
4-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63579238
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-4-methoxybenzoic acid
CID 63556801
2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461186
2-methyl-5-[(5-nitro-2,4-dioxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 63800272
3-methyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxylic acid
CID 103288809
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 60873481
3-methyl-5-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid
CID 63002732
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid (CID 63557187) is 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(Cn2cc(F)c(=O)[nH]c2=O)oc1C(=O)O.
What is the InChIKey of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is IFUMFFBYRLQQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O5/c1-5-2-6(19-8(5)10(16)17)3-14-4-7(12)9(15)13-11(14)18/h2,4H,3H2,1H3,(H,16,17)(H,13,15,18).
What are the key properties of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 268.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 63557187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).