2-Chloro-7-methyl-7H-purin-8(9H)-one - CAS 1273315-19-7

Catalog:	BB006786
Product Name:	2-Chloro-7-methyl-7H-purin-8(9H)-one
CAS:	1273315-19-7
Synonyms:	2-chloro-7-methyl-9H-purin-8-one; 2-chloro-7-methyl-9H-purin-8-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-7-methyl-9H-purin-8-one
Description:	2-Chloro-7-methyl-7H-purin-8(9H)-one (CAS# 1273315-19-7) is a useful research chemical.
Molecular Weight:	184.58
Molecular Formula:	C6H5ClN4O
Canonical SMILES:	CN1C2=CN=C(N=C2NC1=O)Cl
InChI:	InChI=1S/C6H5ClN4O/c1-11-3-2-8-5(7)9-4(3)10-6(11)12/h2H,1H3,(H,8,9,10,12)
InChI Key:	CPAAEGXEHWCCPD-UHFFFAOYSA-N
LogP:	0.31000

Publication Number	Title	Priority Date
CN-110177791-A	Amino-triazolopyridine compound and its purposes in treating cancer	20161220
US-10189841-B2	Purinones as ubiquitin-specific protease 1 inhibitors	20151120
US-2017145012-A1	Purinones as ubiquitin-specific protease 1 inhibitors	20151120
JP-2012184205-A	2-Amino-substituted 8-oxodihydropurine derivatives	20110308
JP-2014076947-A	2-Oxy-substituted 8-oxodihydropurine derivatives	20110203

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Related Functional Groups

Purines

[635-39-2]
Guanine monohydrochloride
[1681-15-8]
2-Chloro-9H-purine
[1273315-19-7]
2-Chloro-7-methyl-7H-purin-8(9H)-one
[937599-53-6]
[9-(4-Methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl]acetic acid
[6055-72-7]
Adenine Hydrochloride Hemihydrate
[409344-71-4]
PSB-1115 potassium salt

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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