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

C₆H₄Cl₂N₄CAS 98141-42-5203.03 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₄Cl₂N₄
Molar mass: 203.03 g/mol
Exact mass: 201.9813 Da
logP: 1.67Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed25% of notifiers
H311 Toxic in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H331 Toxic if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98141-42-5

SMILES

CN1C2=C(C=N1)C(=NC(=N2)Cl)Cl

InChIKey

TYMWHTJGWKSXRY-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N4/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

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

Work with 4,6-Dichloro-1-methyl-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-1-methyl-1H-pyrazolo(3,4-d)pyrimidine23000-43-359 % similar 4,6-Dichloro-1H-pyrazolo(3,4-d)pyrimidine42754-96-138 % similar 2,4,6-Trichloro-5-methylpyrimidine1780-36-538 % similar 2,4-Dichloropyrido[3,4-D]pyrimidine908240-50-637 % similar 2,4-Dichloroquinazoline607-68-136 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-135 % similar 2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-535 % similar 2,4-Dichlorothieno[2,3-d]pyrimidine18740-39-135 % similar

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

Same formula

2,6-Dichloro-7-methyl-7H-purine2273-93-0 2,6-Dichloro-9-methyl-9H-purine2382-10-7

Elsewhere

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