chempirical

Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

C6H7ClN4O2CAS 1458-01-1202.60 g/mol

Open in Covalent MOL file
OONClNH2NH2N
Aryl halideEsterPrimary amine

Properties

Molecular formula
C6H7ClN4O2
Molar mass
202.60 g/mol
Exact mass
202.0258 Da
Melting point
210–212 °C
logP
0.08Crippen estimate
Polar surface area
104.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
1458-01-1
SMILES
COC(=O)c1nc(Cl)c(N)nc1N
InChIKey
KOOBYHRLTYIPTH-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)

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Names and synonyms

4 names
  • 2-Pyrazinecarboxylic acid, 3,5-diamino-6-chloro-, methyl ester
  • Pyrazinecarboxylic acid, 3,5-diamino-6-chloro-, methyl ester
  • Methyl 3,5-diamino-6-chloropyrazinecarboxylate
  • 3,5-Diamino-6-chloropyrazine-2-carboxylic acid methyl ester

Work with Methyl 3,5-diamino-6-chloropyrazine-2-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

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-084 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-651 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-451 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-244 % similar Methyl 2-chloronicotinate40134-18-744 % similar Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-542 % similar Methyl 2,6-dichloroisonicotinate42521-09-541 % similar Methyl 5-bromo-2-chloronicotinate78686-79-041 % similar

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

Elsewhere

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