2,6-Dichloro-9-methyl-9H-purine - CAS 2382-10-7

Catalog:	BB018201
Product Name:	2,6-Dichloro-9-methyl-9H-purine
CAS:	2382-10-7
Synonyms:	2,6-dichloro-9-methylpurine; 2,6-dichloro-9-methylpurine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,6-dichloro-9-methylpurine
Description:	2,6-DICHLORO-9-METHYLPURINE acts as a reagent in the synthesis of highly selective inhibitors of PI3K-δ used in the treatment of inflammatory diseases such as leukocyte related illnesses.
Molecular Weight:	203.03
Molecular Formula:	C6H4Cl2N4
Canonical SMILES:	CN1C=NC2=C1N=C(N=C2Cl)Cl
InChI:	InChI=1S/C6H4Cl2N4/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3
InChI Key:	HWMJNDVUIMQFEW-UHFFFAOYSA-N
Boiling Point:	307.2 °C at 760 mmHg
Density:	1.76 g/cm³
LogP:	1.67010

Publication Number	Title	Priority Date
JP-2021102590-A	Hypoxanthine compound	20191226
CN-111825674-A	Pyrimido five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor	20190422
WO-2020215998-A1	Pyrimido five-membered heterocyclic compound and use thereof as mutant idh2 inhibitor	20190422
CN-109651370-A	A kind of purine analog derivative free radical precursor molecule and preparation method thereof	20181217
EP-3663293-A1	Substituted penta- and hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof	20170804

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Related Functional Groups

Purines

[309947-91-9]
2-(tert-Butoxycarbonylamino)-9H-purine-6(1H)-one
[635-39-2]
Guanine monohydrochloride
[1681-15-8]
2-Chloro-9H-purine
[1904-98-9]
2,6-Diaminopurine
[1198-33-0]
9-Methylxanthine
[937599-53-6]
[9-(4-Methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl]acetic acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.9813015
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.9813015
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2