2-Chloro-6(methylamino)purine - CAS 82499-02-3

Catalog:	BB036845
Product Name:	2-Chloro-6(methylamino)purine
CAS:	82499-02-3
Synonyms:	2-chloro-N-methyl-7H-purin-6-amine

Technical Data

Patents

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Computed Properties

IUPAC Name:	2-chloro-N-methyl-7H-purin-6-amine
Description:	2-Chloro-6(methylamino)purine (CAS# 82499-02-3 ) is a useful research chemical.
Molecular Weight:	183.60
Molecular Formula:	C6H6ClN5
Canonical SMILES:	CNC1=NC(=NC2=C1NC=N2)Cl
InChI:	InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)
InChI Key:	RIAVUEFUPHOGJY-UHFFFAOYSA-N
Boiling Point:	282.1 °C at 760 mmHg
Density:	1.76 g/cm³
MDL:	MFCD08272066
LogP:	1.12100

Publication Number	Title	Priority Date
TW-202010750-A	Ectonucleotidase inhibitors and methods of use thereof	20180621
US-2019389899-A1	Ectonucleotidase inhibitors and methods of use thereof	20180621
KR-20210024561-A	Ectonucleotidase inhibitors and methods of use thereof	20180621
CN-112888696-A	Exonucleotidase inhibitors and methods of use thereof	20180621
US-11078228-B2	Ectonucleotidase inhibitors and methods of use thereof	20180621

PMID	Publication Date	Title	Journal
17379526	20070515	The screening and characterization of 6-aminopurine-based xanthine oxidase inhibitors	Bioorganic & medicinal chemistry
11543678	20010913	Acyclic and cyclopropyl analogues of adenosine bisphosphate antagonists of the P2Y1 receptor: structure-activity relationships and receptor docking	Journal of medicinal chemistry

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Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0311729
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.0311729
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1