chempirical

tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate

C11H13Cl2N3O2CAS 903129-71-5290.14 g/mol

Open in Covalent MOL file
OONNNClCl
Aryl halideCarbamate

Properties

Molecular formula
C11H13Cl2N3O2
Molar mass
290.14 g/mol
Exact mass
289.0385 Da
logP
3.03Crippen estimate
Polar surface area
55.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

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
903129-71-5
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N=C2Cl)Cl
InChIKey
WUYSMOCOXBLFKK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13Cl2N3O2/c1-11(2,3)18-10(17)16-4-6-7(5-16)14-9(13)15-8(6)12/h4-5H2,1-3H3

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Names and synonyms

1 names
  • tert-Butyl 2,4-dichloro-5,7-dihydro-6H-pyrrolo(3,4-d)pyrimidine-6-carboxylate

Work with tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-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

tert-Butyl 2,4-dichloro-7,8-dihydropyrido(4,3-d)pyrimidine-6(5H)-carboxylate635698-56-580 % similar tert-Butyl 2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate916420-27-480 % similar 3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester398491-59-345 % similar tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate1280210-79-844 % similar tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate657428-42-744 % similar tert-Butyl 2-(Methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate1226781-82-344 % similar N-Boc-5-bromoisoindoline201940-08-142 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-141 % similar

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

Elsewhere

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