5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid

C5H5N3O3 — CID 154310576

IUPAC5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)[nH]c1=O
InChIInChI=1S/C5H5N3O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,6H2,(H,10,11)(H,7,8,9)
InChIKeyJDJKHYWNRIYHIY-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.95
Rot. Bonds1

About 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid

5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid (PubChem CID 154310576) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid
PubChem CID154310576
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)[nH]c1=O
InChIInChI=1S/C5H5N3O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,6H2,(H,10,11)(H,7,8,9)
InChIKeyJDJKHYWNRIYHIY-UHFFFAOYSA-N
XLogP-0.95
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid (CID 154310576) is 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid is Nc1cnc(C(=O)O)[nH]c1=O.
What is the InChIKey of 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid?
The InChIKey is JDJKHYWNRIYHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,6H2,(H,10,11)(H,7,8,9).
What are the key properties of 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid?
5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-oxo-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 154310576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).