2-aminopyrimidin-1-ium-1-carboxylic acid

C5H6N3O2+ — CID 91101362

IUPAC2-aminopyrimidin-1-ium-1-carboxylic acid
SMILESNc1nccc[n+]1C(=O)O
InChIInChI=1S/C5H5N3O2/c6-4-7-2-1-3-8(4)5(9)10/h1-3,6H,(H,9,10)/p+1
InChIKeyORGGPIMFZZROQA-UHFFFAOYSA-O
MW140.12 g/mol
LogP-0.52
Rot. Bonds

About 2-aminopyrimidin-1-ium-1-carboxylic acid

2-aminopyrimidin-1-ium-1-carboxylic acid (PubChem CID 91101362) has the molecular formula C5H6N3O2+ and a molecular weight of 140.12 g/mol. Its IUPAC name is 2-aminopyrimidin-1-ium-1-carboxylic acid.

Molecular Properties

Compound Name2-aminopyrimidin-1-ium-1-carboxylic acid
PubChem CID91101362
Molecular FormulaC5H6N3O2+
Molecular Weight140.12 g/mol
Exact Mass140.05
IUPAC Name2-aminopyrimidin-1-ium-1-carboxylic acid
SMILESNc1nccc[n+]1C(=O)O
InChIInChI=1S/C5H5N3O2/c6-4-7-2-1-3-8(4)5(9)10/h1-3,6H,(H,9,10)/p+1
InChIKeyORGGPIMFZZROQA-UHFFFAOYSA-O
XLogP-0.52
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminopyrimidin-1-ium-1-yl)propan-2-one
CID 5113497
2-benzylpyrimidin-1-ium-1-carboxylate
CID 69398459
[1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine
CID 130155543
5-aminoquinoline-6-carboxylic acid
CID 13221190
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
[1,2,4]thiadiazolo[2,3-a]pyrimidin-8-ium-2-amine bromide
CID 130155542
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
bis((2S)-2-hydroxy-2-phenylacetic acid);bis(pyridine-2-carboxamide)
CID 139198136
carbamic acid;2-nitropyrimidine
CID 67023140
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
azane;pyrimidin-2-amine
CID 174721479
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941

Frequently Asked Questions

What is the IUPAC name of 2-aminopyrimidin-1-ium-1-carboxylic acid?
The IUPAC name of 2-aminopyrimidin-1-ium-1-carboxylic acid (CID 91101362) is 2-aminopyrimidin-1-ium-1-carboxylic acid.
What is the SMILES notation for 2-aminopyrimidin-1-ium-1-carboxylic acid?
The canonical SMILES for 2-aminopyrimidin-1-ium-1-carboxylic acid is Nc1nccc[n+]1C(=O)O.
What is the InChIKey of 2-aminopyrimidin-1-ium-1-carboxylic acid?
The InChIKey is ORGGPIMFZZROQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5N3O2/c6-4-7-2-1-3-8(4)5(9)10/h1-3,6H,(H,9,10)/p+1.
What are the key properties of 2-aminopyrimidin-1-ium-1-carboxylic acid?
2-aminopyrimidin-1-ium-1-carboxylic acid has a molecular weight of 140.12 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrimidin-1-ium-1-carboxylic acid is sourced from PubChem (CID 91101362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).