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

C5H2Cl2N4CAS 42754-96-1189.00 g/mol

Open in Covalent MOL file
NHNNNClCl
Aryl halide

Properties

Molecular formula
C5H2Cl2N4
Molar mass
189.00 g/mol
Exact mass
187.9657 Da
logP
1.66Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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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