2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid

C11H14N2O5 — CID 79874687

IUPAC2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CCC2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O5/c14-9-8(10(15)16)6-13(11(17)12-9)4-3-7-2-1-5-18-7/h6-7H,1-5H2,(H,15,16)(H,12,14,17)
InChIKeyODVLFYBIHMZUJN-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.20
Rot. Bonds4

About 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid

2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid (PubChem CID 79874687) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
PubChem CID79874687
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CCC2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O5/c14-9-8(10(15)16)6-13(11(17)12-9)4-3-7-2-1-5-18-7/h6-7H,1-5H2,(H,15,16)(H,12,14,17)
InChIKeyODVLFYBIHMZUJN-UHFFFAOYSA-N
XLogP-0.20
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875071
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 80648817
1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875782
2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 115114607
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-chloro-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyrimidine-2,4-dione
CID 97031240
4-nitro-1-[2-(oxolan-2-yl)ethyl]pyrrole-2-carboxylic acid
CID 65162891
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
4-bromo-1-[2-(oxan-2-yl)ethyl]pyrrole-2-carboxylic acid
CID 106003546
1-[4-(dimethylamino)butyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875074
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid (CID 79874687) is 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid is O=C(O)c1cn(CCC2CCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid?
The InChIKey is ODVLFYBIHMZUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-9-8(10(15)16)6-13(11(17)12-9)4-3-7-2-1-5-18-7/h6-7H,1-5H2,(H,15,16)(H,12,14,17).
What are the key properties of 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid?
2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79874687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).