chempirical

Ethyl 4-amino-1H-imidazole-5-carboxylate

C6H9N3O2CAS 21190-16-9155.16 g/mol

Open in Covalent MOL file
OONHNH2N
EsterPrimary amine

Properties

Molecular formula
C6H9N3O2
Molar mass
155.16 g/mol
Exact mass
155.0695 Da
logP
0.17Crippen estimate
Polar surface area
81.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
21190-16-9
SMILES
CCOC(=O)C1=C(N=CN1)N
InChIKey
NJMORFFDAXJHHM-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2,7H2,1H3,(H,8,9)

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Names and synonyms

1 names
  • Ethyl 4-amino-5-imidazolecarboxylate

Work with Ethyl 4-amino-1H-imidazole-5-carboxylate

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

4-Carbethoxy-5-methylimidazole51605-32-466 % similar Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-447 % similar 5-Aminopyrazine-2-carboxylic acid ethyl ester54013-06-847 % similar Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-045 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate144927-57-145 % similar Benzocaine94-09-744 % similar Diethyl terephthalate636-09-943 % similar Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-143 % similar

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

Same formula

Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-0 Cupferron135-20-6 2-Amino-4,6-dimethoxypyrimidine256642-28-1 2,6-Dimethoxy-4-pyrimidinamine3289-50-7 D-Histidine351-50-8 2-Amino-4,6-dimethoxypyrimidine36315-01-2 Dl-histidine4998-57-6 4-Amino-5,6-dimethoxypyrimidine5018-45-1

Elsewhere

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