chempirical

5-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester

C7H11N3O2CAS 61982-18-1169.18 g/mol

Open in Covalent MOL file
OONNH2N
EsterPrimary amine

Properties

Molecular formula
C7H11N3O2
Molar mass
169.18 g/mol
Exact mass
169.0851 Da
logP
0.18Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

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
61982-18-1
SMILES
CCOC(=O)C1=C(N=CN1C)N
InChIKey
QJLWGJATIFSXTN-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-6(8)9-4-10(5)2/h4H,3,8H2,1-2H3

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Names and synonyms

1 names
  • Ethyl 4-amino-1-methyl-1H-imidazole-5-carboxylate

Work with 5-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester

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

Ethyl 1-methylimidazole-2-carboxylate30148-21-151 % similar Ethyl 4-amino-1H-imidazole-5-carboxylate21190-16-950 % similar Ethyl 2-aminopyridine-3-carboxylate13362-26-049 % similar 3-Aminopyridine-2-carboxylic acid ethyl ester27507-15-946 % similar 5-Aminopyrazine-2-carboxylic acid ethyl ester54013-06-844 % similar Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-043 % similar Ethyl 2-aminothiazole-5-carboxylate32955-21-843 % similar Ethyl 6-aminonicotinate39658-41-843 % similar

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

Same formula

4-(Dimethoxymethyl)pyrimidin-2-amine165807-05-6 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester177760-04-2 Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate31037-02-2 1-Methyl-L-histidine332-80-9 3-Methylhistidine368-16-1 1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate41864-24-8

Elsewhere

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