3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid

C14H14N2O6 — CID 11609205

IUPAC3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1c(=O)ccn(C2CCCO2)c1=O
InChIInChI=1S/C14H14N2O6/c17-10-3-5-15(11-2-1-6-21-11)14(20)16(10)8-9-4-7-22-12(9)13(18)19/h3-5,7,11H,1-2,6,8H2,(H,18,19)
InChIKeyRRRBKRYYKJVRPF-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.66
Rot. Bonds4

About 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid

3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 11609205) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID11609205
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1c(=O)ccn(C2CCCO2)c1=O
InChIInChI=1S/C14H14N2O6/c17-10-3-5-15(11-2-1-6-21-11)14(20)16(10)8-9-4-7-22-12(9)13(18)19/h3-5,7,11H,1-2,6,8H2,(H,18,19)
InChIKeyRRRBKRYYKJVRPF-UHFFFAOYSA-N
XLogP0.66
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid (CID 11609205) is 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid is O=C(O)c1occc1Cn1c(=O)ccn(C2CCCO2)c1=O.
What is the InChIKey of 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is RRRBKRYYKJVRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c17-10-3-5-15(11-2-1-6-21-11)14(20)16(10)8-9-4-7-22-12(9)13(18)19/h3-5,7,11H,1-2,6,8H2,(H,18,19).
What are the key properties of 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid?
3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 306.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 11609205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).