5-Bromo-4-methoxypyrimidine - CAS 4319-85-1

Name: 5-Bromo-4-methoxypyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025360
Product Name:	5-Bromo-4-methoxypyrimidine
CAS:	4319-85-1
Synonyms:	5-bromo-4-methoxypyrimidine; 5-bromo-4-methoxypyrimidine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-4-methoxypyrimidine
Description:	5-Bromo-4-methoxypyrimidine (CAS# 4319-85-1) is a useful research chemical.
Molecular Weight:	189.01
Molecular Formula:	C5H5BrN2O
Canonical SMILES:	COC1=NC=NC=C1Br
InChI:	InChI=1S/C5H5BrN2O/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3
InChI Key:	GGTJMKOJYGIIKR-UHFFFAOYSA-N
LogP:	1.24770

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Related Functional Groups

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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

Publication Number	Title	Priority Date
WO-2019166824-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
CN-112004814-A	Oxadiazolyl thiophene derivatives useful as inhibitors of histone deacetylase	20180301
EP-3759106-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
US-2021038607-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
BR-112019017171-A2	1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof	20171220

Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.95853
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.95853
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2