4-Aminopyrimidine-5-carboxylic acid

C₅H₅N₃O₂CAS 20737-41-1139.11 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20737-41-1

SMILES

C1=C(C(=NC=N1)N)C(=O)O

InChIKey

ZUBDZQFROMAIPT-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Aminopyrimidine-5-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-Aminonicotinic acid5345-47-154 % similar 2-Amino-5-bromonicotinic acid52833-94-054 % similar 5-Pyrimidinecarboxylic acid4595-61-348 % similar Cinchomeronic acid490-11-947 % similar 3-Aminoisonicotinic acid7579-20-646 % similar 3-Amino-2-pyrazinecarboxylic acid5424-01-146 % similar Isoquinoline-4-carboxylic acid7159-36-645 % similar 5-Amino-2-fluoro-isonicotinic acid171178-43-144 % 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 2-Aminopyrimidine-4-carboxylic acid2164-65-0 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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