2-Chloro-9-methyl-7H-purin-8(9H)-one - CAS 1273315-11-9

Catalog:	BB006784
Product Name:	2-Chloro-9-methyl-7H-purin-8(9H)-one
CAS:	1273315-11-9
Synonyms:	2-chloro-9-methyl-7H-purin-8-one; 2-chloro-9-methyl-7H-purin-8-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-9-methyl-7H-purin-8-one
Description:	2-Chloro-9-methyl-7H-purin-8(9H)-one (CAS# 1273315-11-9) is a useful research chemical.
Molecular Weight:	184.58
Molecular Formula:	C6H5ClN4O
Canonical SMILES:	CN1C2=NC(=NC=C2NC1=O)Cl
InChI:	InChI=1S/C6H5ClN4O/c1-11-4-3(9-6(11)12)2-8-5(7)10-4/h2H,1H3,(H,9,12)
InChI Key:	ZZUVVSFIAPUPAF-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	0.31000

Publication Number	Title	Priority Date
US-10294206-B2	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421
US-10577329-B2	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421
US-2016311774-A1	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421
US-2018141910-A1	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421
US-2019202790-A1	Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20150421

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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