4-Bromo-2-(dimethylamino)pyrimidine - CAS 959240-54-1

Catalog:	BB041912
Product Name:	4-Bromo-2-(dimethylamino)pyrimidine
CAS:	959240-54-1
Synonyms:	4-bromo-N,N-dimethyl-2-pyrimidinamine; 4-bromo-N,N-dimethylpyrimidin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-N,N-dimethylpyrimidin-2-amine
Description:	4-Bromo-2-(dimethylamino)pyrimidine (CAS# 959240-54-1) is a useful research chemical compound.
Molecular Weight:	202.05
Molecular Formula:	C6H8BrN3
Canonical SMILES:	CN(C)C1=NC=CC(=N1)Br
InChI:	InChI=1S/C6H8BrN3/c1-10(2)6-8-4-3-5(7)9-6/h3-4H,1-2H3
InChI Key:	NFAWNOWYQSOGHA-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD09879094
LogP:	1.30510

Publication Number	Title	Priority Date
CN-112004814-A	Oxadiazolyl thiophene derivatives useful as inhibitors of histone deacetylase	20180301
US-2021038607-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
AU-2017226004-A1	Inhibitors of WDR5 protein-protein binding	20160301
EP-3423451-A1	Inhibitors of wdr5 protein-protein binding	20160301
JP-2019512482-A	Inhibitors of WDR5 protein-protein binding	20160301

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Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.99016
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.99016
Rotatable Bond Count:	1
Topological Polar Surface Area:	29
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7