3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one - CAS 771579-27-2

Catalog:	BB035833
Product Name:	3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one
CAS:	771579-27-2
Synonyms:	3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one; 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one

Technical Data

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Computed Properties

IUPAC Name:	3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one
Description:	3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one (CAS# 771579-27-2) is a reactant in the preparation of pyrazolopyridine and indazoles as histone lysine methyltransferase EZH2 inhibitors.
Molecular Weight:	152.19
Molecular Formula:	C8H12N2O
Canonical SMILES:	CC1=CC(=C(C(=O)N1)CN)C
InChI:	InChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11)
InChI Key:	PCJPGNCABBDNJU-UHFFFAOYSA-N
LogP:	1.56300

Publication Number	Title	Priority Date
CN-113248481-A	EZH2 covalent irreversible inhibitor, preparation method and application thereof	20210419
CN-113024516-A	Double-target PARP/EZH2 inhibitor, preparation method and application	20210329
AU-2021203261-B1	Novel dioxoloisoquinolinone derivatives and use thereof	20200813
WO-2021086069-A1	Compound comprising ezh2 inhibitor and e3 ligase binder and pharmaceutical composition for preventing or treating ezh2-associated disease comprising same as active ingredient	20191031
CN-112341390-A	Compound for preparing targeted histone methyltransferase EZH2 covalent inhibitor and preparation method and application thereof	20190807

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Related Functional Groups

Pyridines

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[76167-49-2]
2-(Pyridin-3-yloxy)aniline
[153259-31-5]
2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.094963011
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1