N-(2-Chloro-4-pyrimidinyl)-N,2,3-trimethyl-2H-indazol-6-amine

C₁₄H₁₄ClN₅CAS 444731-75-3287.75 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₄H₁₄ClN₅
Molar mass: 287.75 g/mol
Exact mass: 287.0938 Da
logP: 3.09Crippen estimate
Polar surface area: 46.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed75% of notifiers
H302 Harmful if swallowed25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H341 Suspected of causing genetic defects75% of notifiers
H361 Suspected of damaging fertility or the unborn child25% of notifiers
H362 May cause harm to breast-fed children25% of notifiers
H412 Harmful to aquatic life with long lasting effects25% of notifiers

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

Precautionary statements

P203, P260, P263, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P318, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

444731-75-3

SMILES

Cc1c2ccc(N(C)c3ccnc(Cl)n3)cc2nn1C

InChIKey

DVGMRZQSSNNTFY-UHFFFAOYSA-N

InChI

InChI=1S/C14H14ClN5/c1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

4 names

2H-Indazol-6-amine, N-(2-chloro-4-pyrimidinyl)-N,2,3-trimethyl-
N-(2-Chloropyrimidin-4-yl)-N-methyl-2,3-dimethyl-2H-indazol-6-amine
N-(2-Chloropyrimidin-4-yl)-N,2,3-trimethyl-2H-indazol-6-amine
N-(2-Chloropyrimidin-4-yl)-N-methyl-2,3-Methyl-2H-indazol-6-amine

Work with N-(2-Chloro-4-pyrimidinyl)-N,2,3-trimethyl-2H-indazol-6-amine

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

Pazopanib444731-52-655 % similar Pazopanib hydrochloride635702-64-653 % similar N-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine444731-74-247 % similar 2,3-Dimethyl-2H-indazol-6-amine444731-72-044 % similar 2,3-Dimethyl-2H-indazol-6-amine hydrochloride635702-60-242 % similar 2,3-Dimethyl-6-nitro-2H-indazole444731-73-139 % similar 2-Chloro-4-methylpyrimidine13036-57-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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