2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid

C6H6N2O4 — CID 2512745

IUPAC2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)cc[nH]c1=O
InChIInChI=1S/C6H6N2O4/c9-4-1-2-7-6(12)8(4)3-5(10)11/h1-2H,3H2,(H,7,12)(H,10,11)
InChIKeyQFUOATLPSKJDGL-UHFFFAOYSA-N
MW170.12 g/mol
LogP-1.38
Rot. Bonds2

About 2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid

2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid (PubChem CID 2512745) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
PubChem CID2512745
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1c(=O)cc[nH]c1=O
InChIInChI=1S/C6H6N2O4/c9-4-1-2-7-6(12)8(4)3-5(10)11/h1-2H,3H2,(H,7,12)(H,10,11)
InChIKeyQFUOATLPSKJDGL-UHFFFAOYSA-N
XLogP-1.38
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-1.38
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-3-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid (CID 2512745) is 2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid is O=C(O)Cn1c(=O)cc[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
The InChIKey is QFUOATLPSKJDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c9-4-1-2-7-6(12)8(4)3-5(10)11/h1-2H,3H2,(H,7,12)(H,10,11).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
2-(2,4-dioxo-1H-pyrimidin-3-yl)acetic acid has a molecular weight of 170.12 g/mol, XLogP of -1.38, 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-3-yl)acetic acid is sourced from PubChem (CID 2512745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).