5-Amino-2-bromopyrimidine - CAS 56621-91-1

Catalog:	BB029432
Product Name:	5-Amino-2-bromopyrimidine
CAS:	56621-91-1
Synonyms:	2-bromo-5-pyrimidinamine; 2-bromopyrimidin-5-amine

Technical Data

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Computed Properties

IUPAC Name:	2-bromopyrimidin-5-amine
Description:	5-Amino-2-bromopyrimidine (CAS# 56621-91-1) is a reagent used in the synthesis in a bioavailable PPARa antagonist used in the treatment of metabolic syndrome.
Molecular Weight:	174.00
Molecular Formula:	C4H4BrN3
Canonical SMILES:	C1=C(C=NC(=N1)Br)N
InChI:	InChI=1S/C4H4BrN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
InChI Key:	BTXWPEMYVHUOPW-UHFFFAOYSA-N
Boiling Point:	364.137 °C at 760 mmHg
Density:	1.844 g/cm³
MDL:	MFCD07778608
LogP:	1.40250

Publication Number	Title	Priority Date
WO-2018219478-A1	Heteroaryl-carboxamides as histone demethylase inhibitors	20170602
CN-107176926-A	A kind of preparation method of pyridine derivatives	20160309
US-2016024091-A1	Inhibitors of the renal outer medullary potassium channel	20130315
US-9765074-B2	Inhibitors of the renal outer medullary potassium channel	20130315
CN-103709097-A	1,3-substituted carbamide or thiourea compound, preparation method thereof, pharmaceutical composition and application	20120928

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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

Complexity:	69.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.95886
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5