5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C5H4N2O5 — CID 91605826

IUPAC5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1O
InChIInChI=1S/C5H4N2O5/c8-2-1(4(10)11)6-5(12)7-3(2)9/h8H,(H,10,11)(H2,6,7,9,12)
InChIKeyGPCGCNOBSHPJCD-UHFFFAOYSA-N
MW172.10 g/mol
LogP-1.53
Rot. Bonds1

About 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 91605826) has the molecular formula C5H4N2O5 and a molecular weight of 172.10 g/mol. Its IUPAC name is 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID91605826
Molecular FormulaC5H4N2O5
Molecular Weight172.10 g/mol
Exact Mass172.01
IUPAC Name5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1O
InChIInChI=1S/C5H4N2O5/c8-2-1(4(10)11)6-5(12)7-3(2)9/h8H,(H,10,11)(H2,6,7,9,12)
InChIKeyGPCGCNOBSHPJCD-UHFFFAOYSA-N
XLogP-1.53
TPSA123.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 91605826) is 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1[nH]c(=O)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is GPCGCNOBSHPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O5/c8-2-1(4(10)11)6-5(12)7-3(2)9/h8H,(H,10,11)(H2,6,7,9,12).
What are the key properties of 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 172.10 g/mol, XLogP of -1.53, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 91605826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).