2-(Dimethylamino)pyrimidine-5-boronic Acid - CAS 756817-82-0

Catalog:	BB035372
Product Name:	2-(Dimethylamino)pyrimidine-5-boronic Acid
CAS:	756817-82-0
Synonyms:	[2-(dimethylamino)-5-pyrimidinyl]boronic acid; [2-(dimethylamino)pyrimidin-5-yl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[2-(dimethylamino)pyrimidin-5-yl]boronic acid
Description:	2-(Dimethylamino)pyrimidine-5-boronic Acid (CAS# 756817-82-0) is a useful research chemical.
Molecular Weight:	166.97
Molecular Formula:	C6H10N3O2B
Canonical SMILES:	B(C1=CN=C(N=C1)N(C)C)(O)O
InChI:	InChI=1S/C6H10BN3O2/c1-10(2)6-8-3-5(4-9-6)7(11)12/h3-4,11-12H,1-2H3
InChI Key:	JHGMROYFIMQNCI-UHFFFAOYSA-N
MDL:	MFCD10696933
LogP:	-1.77760

Publication Number	Title	Priority Date
WO-2020061117-A1	Farnesoid x receptor agonists and uses thereof	20180918
CN-113056265-A	Farnesoin X receptor agonists and uses thereof	20180918
EP-3852736-A1	Farnesoid x receptor agonists and uses thereof	20180918
CN-110177785-A	A kind of dihydroisoquinoliness compound	20170113
US-10647712-B2	Dihydroisoquinoline compound	20170113

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Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0866067
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.0866067
Rotatable Bond Count:	2
Topological Polar Surface Area:	69.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0