2-Amino-5-bromopyrimidine - CAS 7752-82-1

Catalog:	BB035973
Product Name:	2-Amino-5-bromopyrimidine
CAS:	7752-82-1
Synonyms:	5-bromopyrimidin-2-amine

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Computed Properties

IUPAC Name:	5-bromopyrimidin-2-amine
Description:	2-Amino-5-bromopyrimidine (CAS# 7752-82-1) is a compound useful in organic synthesis.
Molecular Weight:	174.00
Molecular Formula:	C4H4BrN3
Canonical SMILES:	C1=C(C=NC(=N1)N)Br
InChI:	InChI=1S/C4H4BrN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChI Key:	UHRHPPKWXSNZLR-UHFFFAOYSA-N
Boiling Point:	340.743 °C at 760 mmHg
Purity:	> 95 %
Density:	1.844 g/cm³
MDL:	MFCD00012341
LogP:	1.40250

Publication Number	Title	Priority Date
JP-2020189891-A	Harmful arthropod control method using heterocyclic compound	20200831
WO-2021208850-A1	Nitroimidazole derivative, preparation method therefor and use thereof	20200417
WO-2021164735-A1	Heteroaryl heterocyclic compounds and uses thereof	20200220
WO-2021126728-A1	Prmt5 inhibitors	20191217
WO-2021126729-A1	Prmt5 inhibitors	20191217

PMID	Publication Date	Title	Journal
19791761	20091106	Synthesis of pyridine, pyrimidine and pyridinone C-nucleoside phosphoramidites for probing cytosine function in RNA	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (81.63%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, 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