2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid

C6H6N2O4 — CID 83873973

IUPAC2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)n(O)cn1
InChIInChI=1S/C6H6N2O4/c9-5-1-4(2-6(10)11)7-3-8(5)12/h1,3,12H,2H2,(H,10,11)
InChIKeyGWKSTEHSYKRUDN-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.89
Rot. Bonds2

About 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid

2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid (PubChem CID 83873973) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid
PubChem CID83873973
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)n(O)cn1
InChIInChI=1S/C6H6N2O4/c9-5-1-4(2-6(10)11)7-3-8(5)12/h1,3,12H,2H2,(H,10,11)
InChIKeyGWKSTEHSYKRUDN-UHFFFAOYSA-N
XLogP-0.89
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid (CID 83873973) is 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid is O=C(O)Cc1cc(=O)n(O)cn1.
What is the InChIKey of 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid?
The InChIKey is GWKSTEHSYKRUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c9-5-1-4(2-6(10)11)7-3-8(5)12/h1,3,12H,2H2,(H,10,11).
What are the key properties of 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid?
2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid has a molecular weight of 170.12 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-6-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83873973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).