2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid

C6H6N2O4 — CID 3756925

IUPAC2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H6N2O4/c9-4-2-5(10)8-3(7-4)1-6(11)12/h2H,1H2,(H,11,12)(H2,7,8,9,10)
InChIKeyKSHNOUQTQJABED-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.90
Rot. Bonds2

About 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid

2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid (PubChem CID 3756925) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid
PubChem CID3756925
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H6N2O4/c9-4-2-5(10)8-3(7-4)1-6(11)12/h2H,1H2,(H,11,12)(H2,7,8,9,10)
InChIKeyKSHNOUQTQJABED-UHFFFAOYSA-N
XLogP-0.90
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid (CID 3756925) is 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid is O=C(O)Cc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The InChIKey is KSHNOUQTQJABED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c9-4-2-5(10)8-3(7-4)1-6(11)12/h2H,1H2,(H,11,12)(H2,7,8,9,10).
What are the key properties of 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid?
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid has a molecular weight of 170.12 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 3756925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).