4,6-Dichloro-1H-pyrazolo(3,4-d)pyrimidine

C₅H₂Cl₂N₄CAS 42754-96-1189.00 g/mol

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Properties

Molecular formula: C₅H₂Cl₂N₄
Molar mass: 189.00 g/mol
Exact mass: 187.9657 Da
logP: 1.66Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
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

42754-96-1

SMILES

C1=NNC2=C1C(=NC(=N2)Cl)Cl

InChIKey

CTYPROOLWJDUTA-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11)

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Names and synonyms

1 names

4,6-Dichloro-1H-pyrazolo[3,4-D]pyrimidine

Work with 4,6-Dichloro-1H-pyrazolo(3,4-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-1H-pyrazolo[3,4-D]pyrimidin-6-amine100644-65-365 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-855 % similar 6-Chloro-1H-pyrazolo[3,4-D]pyrimidine23002-51-947 % similar 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-040 % similar 2,4-Dichloropyrido[3,4-D]pyrimidine908240-50-640 % similar 2,4-Dichloroquinazoline607-68-139 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-139 % similar 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-539 % similar

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

Same formula

2,6-Dichloropurine5451-40-1

Elsewhere

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