2-Methyl-1H-purin-6(9H)-one - CAS 5167-18-0

Catalog:	BB027544
Product Name:	2-Methyl-1H-purin-6(9H)-one
CAS:	5167-18-0
Synonyms:	2-methyl-1,7-dihydropurin-6-one; 2-methyl-1,7-dihydropurin-6-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methyl-1,7-dihydropurin-6-one
Description:	2-Methyl-1H-purin-6(9H)-one (CAS# 5167-18-0 ) is a useful research chemical.
Molecular Weight:	150.14
Molecular Formula:	C6H6N4O
Canonical SMILES:	CC1=NC2=C(C(=O)N1)NC=N2
InChI:	InChI=1S/C6H6N4O/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11)
InChI Key:	JXLWCABYHOMQHE-UHFFFAOYSA-N
Boiling Point:	484.3 °C at 760 mmHg
Density:	1.72 g/cm³
LogP:	0.36690

Publication Number	Title	Priority Date
JP-2021526017-A	Exon skipping oligomeric conjugate for muscular dystrophy	20180529
JP-2021521794-A	Exon skipping oligomers and oligomeric conjugates for muscular dystrophy	20180426
BR-112020018983-A2	CHANNEL INHIBITORS RECEIVING POTENTIAL OXADIAZOL POTENTIAL	20180319
JP-2020537501-A	Exon skipping oligomeric conjugate for muscular dystrophy	20170922
EP-3401683-A1	Diagnosing metabolic disease by the use of a biomarker	20170510

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Related Functional Groups

Purines

[309947-91-9]
2-(tert-Butoxycarbonylamino)-9H-purine-6(1H)-one
[1904-98-9]
2,6-Diaminopurine
[853029-57-9]
8-bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
[19530-88-2]
2-amino-7-ethyl-3H-purin-6-one
[6055-72-7]
Adenine Hydrochloride Hemihydrate
[120-73-0]
Purine

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.05416083
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.05416083
Rotatable Bond Count:	0
Topological Polar Surface Area:	70.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5