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

C5H5N3O3 — CID 135408663

IUPAC4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESNc1cc(=O)[nH]c(C(=O)O)n1
InChIInChI=1S/C5H5N3O3/c6-2-1-3(9)8-4(7-2)5(10)11/h1H,(H,10,11)(H3,6,7,8,9)
InChIKeyNVWFGSKGKRUMGV-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.95
Rot. Bonds1

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

4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid (PubChem CID 135408663) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid
PubChem CID135408663
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESNc1cc(=O)[nH]c(C(=O)O)n1
InChIInChI=1S/C5H5N3O3/c6-2-1-3(9)8-4(7-2)5(10)11/h1H,(H,10,11)(H3,6,7,8,9)
InChIKeyNVWFGSKGKRUMGV-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

Analyze 4-amino-6-oxo-1H-pyrimidine-2-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

Related Compounds

4,6-Dihydroxypyrimidine-2-carboxylic acid
CID 45790943
6-oxo-1H-pyrimidine-2-carboxylic acid
CID 18327799
Lithium(1+) 6-oxo-1,6-dihydropyrimidine-2-carboxylate
CID 145874610
4-Hydroxy-6-(2,2,2-trifluoroacetamido)pyrimidine-2-carboxylic acid
CID 165917088
methyl 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
CID 58103686
2-Methylimino-2-(prop-2-enoylamino)acetic acid
CID 172236016
azane;6-oxo-1H-pyrimidine-2-carboxylic acid
CID 176188283
4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
CID 82017768
sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
CID 90480679
4-Hydroxy-6-methoxypyrimidine-2-carboxylic acid
CID 105434337
4-Hydroxy-6-methylpyrimidine-2-carboxylic Acid
CID 136313172
Ethyl 4-amino-6-hydroxypyrimidine-2-carboxylate
CID 137195153

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid (CID 135408663) is 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid is Nc1cc(=O)[nH]c(C(=O)O)n1.
What is the InChIKey of 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid?
The InChIKey is NVWFGSKGKRUMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-2-1-3(9)8-4(7-2)5(10)11/h1H,(H,10,11)(H3,6,7,8,9).
What are the key properties of 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid?
4-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 4-amino-6-oxo-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135408663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).