5-amino-2,6-dioxopyrimidine-5-carboxylic acid

C5H5N3O4 — CID 150339884

IUPAC5-amino-2,6-dioxopyrimidine-5-carboxylic acid
SMILESNC1(C(=O)O)C=NC(=O)NC1=O
InChIInChI=1S/C5H5N3O4/c6-5(3(10)11)1-7-4(12)8-2(5)9/h1H,6H2,(H,10,11)(H,8,9,12)
InChIKeyGRMCZBQHDTVERN-UHFFFAOYSA-N
MW171.11 g/mol
LogP-1.91
Rot. Bonds1

About 5-amino-2,6-dioxopyrimidine-5-carboxylic acid

5-amino-2,6-dioxopyrimidine-5-carboxylic acid (PubChem CID 150339884) has the molecular formula C5H5N3O4 and a molecular weight of 171.11 g/mol. Its IUPAC name is 5-amino-2,6-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name5-amino-2,6-dioxopyrimidine-5-carboxylic acid
PubChem CID150339884
Molecular FormulaC5H5N3O4
Molecular Weight171.11 g/mol
Exact Mass171.03
IUPAC Name5-amino-2,6-dioxopyrimidine-5-carboxylic acid
SMILESNC1(C(=O)O)C=NC(=O)NC1=O
InChIInChI=1S/C5H5N3O4/c6-5(3(10)11)1-7-4(12)8-2(5)9/h1H,6H2,(H,10,11)(H,8,9,12)
InChIKeyGRMCZBQHDTVERN-UHFFFAOYSA-N
XLogP-1.91
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.11
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-amino-2,6-dioxopyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,6-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 5-amino-2,6-dioxopyrimidine-5-carboxylic acid (CID 150339884) is 5-amino-2,6-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 5-amino-2,6-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 5-amino-2,6-dioxopyrimidine-5-carboxylic acid is NC1(C(=O)O)C=NC(=O)NC1=O.
What is the InChIKey of 5-amino-2,6-dioxopyrimidine-5-carboxylic acid?
The InChIKey is GRMCZBQHDTVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4/c6-5(3(10)11)1-7-4(12)8-2(5)9/h1H,6H2,(H,10,11)(H,8,9,12).
What are the key properties of 5-amino-2,6-dioxopyrimidine-5-carboxylic acid?
5-amino-2,6-dioxopyrimidine-5-carboxylic acid has a molecular weight of 171.11 g/mol, XLogP of -1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,6-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 150339884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).