2-Methylpyrimidine-5-boronic Acid Pinacol Ester - CAS 1052686-67-5

Name: 2-Methylpyrimidine-5-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001593
Product Name:	2-Methylpyrimidine-5-boronic Acid Pinacol Ester
CAS:	1052686-67-5
Synonyms:	2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine; 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Description:	2-Methylpyrimidine-5-boronic Acid Pinacol Ester (CAS# 1052686-67-5) is a useful research chemical.
Molecular Weight:	220.08
Molecular Formula:	C11H17N2O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C
InChI:	InChI=1S/C11H17BN2O2/c1-8-13-6-9(7-14-8)12-15-10(2,3)11(4,5)16-12/h6-7H,1-5H3
InChI Key:	COBZMDPXIDGRHY-UHFFFAOYSA-N
Appearance:	Solid
LogP:	1.08420

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1256355-43-7]C9H11O4B
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[766549-26-2]C6H6ClO3B
2-Chloro-4-hydroxyphenylboronic Acid
[871126-22-6]C7H6BFO3
2-Fluoro-4-formylphenylboronic acid
[10365-98-7]C7H9BO3
3-Methoxybenzeneboronic Acid
[470478-90-1]C21H33N2O4B
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester

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WO-2021183555-A1	Ocular drug depot for complement-mediated disorders	20200310
WO-2021021893-A1	Compounds for use in treating neurological disorders	20190729
US-2020299286-A1	Benzodiazepine derivatives as rsv inhibitors	20190318
WO-2020190935-A1	Benzodiazepine derivatives as rsv inhibitors	20190318
TW-202102493-A	Benzodiazepine derivatives as rsv inhibitors	20190318

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.138308
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.138308
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0