6-Chloro-9-methylpurine

C₆H₅ClN₄CAS 2346-74-9168.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅ClN₄
Molar mass: 168.58 g/mol
Exact mass: 168.0203 Da
logP: 1.02Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 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

2346-74-9

SMILES

CN1C=NC2=C1N=CN=C2Cl

InChIKey

UEZNSCCMEMUEMO-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN4/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

6-Chloro-9-methyl-9H-purine

Work with 6-Chloro-9-methylpurine

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

2,6-Dichloro-9-methyl-9H-purine2382-10-761 % similar 9-Methyladenine700-00-558 % similar 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-451 % similar 6-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine7306-68-543 % similar 2,6-Dichloro-7-methyl-7H-purine2273-93-039 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-039 % similar 6-Chloropurine riboside5399-87-139 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-639 % similar

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

Same formula

6-Chloro-imidazo[1,2-B]pyridazin-3-amine166176-45-0 4-Chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine23000-43-3 2-Amino-4-chloropyrrolo[2,3-D]pyrimidine84955-31-7 2-Amino-6-chloroimidazo[1,2-B]pyridazine887625-09-4

Elsewhere

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