6-Chloro-7-methyl-7H-purin-8(9H)-one - CAS 1226804-17-6

Catalog:	BB005456
Product Name:	6-Chloro-7-methyl-7H-purin-8(9H)-one
CAS:	1226804-17-6
Synonyms:	6-chloro-7-methyl-9H-purin-8-one; 6-chloro-7-methyl-9H-purin-8-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-chloro-7-methyl-9H-purin-8-one
Description:	6-Chloro-7-methyl-7H-purin-8(9H)-one (CAS# 1226804-17-6) is a useful research chemical.
Molecular Weight:	184.58
Molecular Formula:	C6H5ClN4O
Canonical SMILES:	CN1C2=C(NC1=O)N=CN=C2Cl
InChI:	InChI=1S/C6H5ClN4O/c1-11-3-4(7)8-2-9-5(3)10-6(11)12/h2H,1H3,(H,8,9,10,12)
InChI Key:	LBJNNYQNAUVPGR-UHFFFAOYSA-N
LogP:	0.72230

Publication Number	Title	Priority Date
CN-112480116-A	PKB inhibitors	20190911
AU-2009314324-A1	AKT and p70 S6 kinase inhibitors	20081111
AU-2009314324-B2	AKT and p70 S6 kinase inhibitors	20081111
CA-2743019-A1	Akt and p70 s6 kinase inhibitors	20081111
CA-2743019-C	Akt and p70 s6 kinase inhibitors	20081111

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Related Functional Groups

Purines

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9-Boc-6-chloro-9H-purine

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Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0151885
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.0151885
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3