2-Aminopyrimidine-4-carboxylic acid

C₅H₅N₃O₂CAS 2164-65-0139.11 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₅N₃O₂
Molar mass: 139.11 g/mol
Exact mass: 139.0382 Da
logP: -0.24Crippen estimate
Polar surface area: 89.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2164-65-0

SMILES

C1=CN=C(N=C1C(=O)O)N

InChIKey

GKFPFLBDQJVJIH-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)

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Names and synonyms

1 names

2-Amino-pyrimidine-4-carboxylic acid

Work with 2-Aminopyrimidine-4-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloropyrimidine-4-carboxylic acid149849-92-361 % similar 2-Methyl-4-pyrimidinecarboxylic acid13627-49-159 % similar 4-Aminopicolinic acid100047-36-754 % similar Dipicolinic acid499-83-252 % similar Picolinic acid98-98-652 % similar 6-Aminopyridine-2-carboxylic acid23628-31-151 % similar 5-Aminopicolinic acid24242-20-451 % similar 4-Aminopyridine-2-carboxylic acid hydrochloride1291487-29-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Nitro-3-pyridinamine13269-19-7 6-Nitro-2-pyridinamine14916-63-3 4-Amino-3-nitropyridine1681-37-4 4-Aminopyrimidine-5-carboxylic acid20737-41-1 2-Amino-5-pyrimidinecarboxylic acid3167-50-8 5-Aminopyrazine-2-carboxylic acid40155-43-9 2-Amino-3-nitropyridine4214-75-9 2-Amino-5-nitropyridine4214-76-0

Elsewhere

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