2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid

C6H6N2O4 — CID 83873974

IUPAC2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid
SMILESO=C(O)CC1C=NC(=O)NC1=O
InChIInChI=1S/C6H6N2O4/c9-4(10)1-3-2-7-6(12)8-5(3)11/h2-3H,1H2,(H,9,10)(H,8,11,12)
InChIKeyDZZIEACGCSSNOM-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.60
Rot. Bonds2

About 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid

2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid (PubChem CID 83873974) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid
PubChem CID83873974
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid
SMILESO=C(O)CC1C=NC(=O)NC1=O
InChIInChI=1S/C6H6N2O4/c9-4(10)1-3-2-7-6(12)8-5(3)11/h2-3H,1H2,(H,9,10)(H,8,11,12)
InChIKeyDZZIEACGCSSNOM-UHFFFAOYSA-N
XLogP-0.60
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid (CID 83873974) is 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid is O=C(O)CC1C=NC(=O)NC1=O.
What is the InChIKey of 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid?
The InChIKey is DZZIEACGCSSNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c9-4(10)1-3-2-7-6(12)8-5(3)11/h2-3H,1H2,(H,9,10)(H,8,11,12).
What are the key properties of 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid?
2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid has a molecular weight of 170.12 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-5H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83873974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).