2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate

C6H5N2O4- — CID 6951215

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESO=C([O-])Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)/p-1
InChIKeyNQAUNZZEYKWTHM-UHFFFAOYSA-M
MW169.12 g/mol
LogP-2.64
Rot. Bonds2

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate

2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate (PubChem CID 6951215) has the molecular formula C6H5N2O4- and a molecular weight of 169.12 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
PubChem CID6951215
Molecular FormulaC6H5N2O4-
Molecular Weight169.12 g/mol
Exact Mass169.03
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESO=C([O-])Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)/p-1
InChIKeyNQAUNZZEYKWTHM-UHFFFAOYSA-M
XLogP-2.64
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate (CID 6951215) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate is O=C([O-])Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The InChIKey is NQAUNZZEYKWTHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)/p-1.
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate has a molecular weight of 169.12 g/mol, XLogP of -2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate is sourced from PubChem (CID 6951215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).