2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid

C5H5N3O3 — CID 135473670

IUPAC2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C5H5N3O3/c6-5-7-2(4(10)11)1-3(9)8-5/h1H,(H,10,11)(H3,6,7,8,9)
InChIKeyXQYZBNZSWAVQJZ-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.95
Rot. Bonds1

About 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid

2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135473670) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135473670
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C5H5N3O3/c6-5-7-2(4(10)11)1-3(9)8-5/h1H,(H,10,11)(H3,6,7,8,9)
InChIKeyXQYZBNZSWAVQJZ-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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Related Compounds

6-Hydroxypyrimidine-4-carboxylic acid
CID 135432441
Methyl 2-amino-6-hydroxypyrimidine-4-carboxylate
CID 135408507
4-Pyrimidinecarboxylic acid, 1,6-dihydro-2-methyl-6-oxo-
CID 135408677
2-(Dimethylamino)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 135398941
2-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136350696
6-Hydroxy-2-(2,2,2-trifluoroacetamido)pyrimidine-4-carboxylic acid
CID 165939411
2-methylidene-4-oxo-1H-pyrimidine-6-carboxylic acid
CID 11953449
2-Amino-6-(hydroxymethyl)pyrimidin-4(1H)-one
CID 135856826
6-Hydroxy-2-methoxypyrimidine-4-carboxylic acid
CID 136249746
2-(Methylamino)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
CID 136316357
2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136437638
2-nitro-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 151468333

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135473670) is 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid is Nc1nc(C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is XQYZBNZSWAVQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-5-7-2(4(10)11)1-3(9)8-5/h1H,(H,10,11)(H3,6,7,8,9).
What are the key properties of 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-amino-6-oxo-1H-pyrimidine-4-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 2-amino-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135473670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).