4-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine

C₇H₆ClN₃CAS 35808-68-5167.60 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₆ClN₃
Molar mass: 167.60 g/mol
Exact mass: 167.0250 Da
logP: 1.92Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

35808-68-5

SMILES

CC1=CC2=C(N1)N=CN=C2Cl

InChIKey

PGQJBJDESGAJSO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClN3/c1-4-2-5-6(8)9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11)

Weigh it out

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

Work with 4-Chloro-6-methyl-7H-pyrrolo[2,3-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

6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-059 % similar 4-Chloro-6-iodo-7H-pyrrolo(2,3-d)pyrimidine876343-10-159 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-750 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-448 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-846 % similar 4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-843 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-642 % similar 7-Chloro-2-methyl-1H-pyrrolo[2,3-C]pyridine874013-97-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-2-methylimidazo(1,2-b)pyridazine14793-00-1 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-6 6-Chloro-1H-indazol-3-amine16889-21-7 3-Chloro-2H-indazol-6-amine21413-23-0 2-Amino-5-chlorobenzimidazole5418-93-9 2,3-Diamino-6-chlorobenzonitrile548457-80-3 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine71149-52-5 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-4

Elsewhere

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