chempirical

2,4-Dichloro-5H-pyrrolo[3,2-D]pyrimidine

C6H3Cl2N3CAS 63200-54-4188.01 g/mol

Open in Covalent MOL file
HNNNClCl
Aryl halide

Properties

Molecular formula
C6H3Cl2N3
Molar mass
188.01 g/mol
Exact mass
186.9704 Da
logP
2.26Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
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
63200-54-4
SMILES
C1=CNC2=C1N=C(N=C2Cl)Cl
InChIKey
MVTLFDKTYGKJEX-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H

Weigh it out

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Work with 2,4-Dichloro-5H-pyrrolo[3,2-D]pyrimidine

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-Chloro-5H-pyrrolo[3,2-D] pyrimidine84905-80-655 % similar 2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-845 % similar 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-544 % similar 2,4-Dichloroquinazoline607-68-144 % similar 2,4-Dichlorothieno[3,2-D]pyrimidine16234-14-342 % similar 7-Chloro-1H-pyrrolo[2,3-c]pyridine357263-41-341 % similar 7-Chloro-1H-pyrrolo[3,2-b]pyridine357263-48-041 % similar 2,4-Dichloropyrido[3,2-D]pyrimidine39551-54-741 % similar

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

Same formula

4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-8 5,7-Dichloro-1H-imidazo[4,5-b]pyridine24485-01-6 4,6-Dichloroimidazo[4,5-C]pyridine2589-12-0 5,7-Dichloro-imidazo[1,2-A]pyrimidine57473-32-2 5,7-Dichloropyrazolo[1,5-A]pyrimidine57489-77-7 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine90213-66-4 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine918538-05-3

Elsewhere

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