5-Bromo-2-(1-piperazinyl)pyrimidine - CAS 99931-82-5

Catalog:	BB042365
Product Name:	5-Bromo-2-(1-piperazinyl)pyrimidine
CAS:	99931-82-5
Synonyms:	5-bromo-2-(1-piperazinyl)pyrimidine; 5-bromo-2-piperazin-1-ylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-piperazin-1-ylpyrimidine
Description:	5-Bromo-2-(1-piperazinyl)pyrimidine (CAS# 99931-82-5) is a useful research chemical.
Molecular Weight:	243.10
Molecular Formula:	C8H11BrN4
Canonical SMILES:	C1CN(CCN1)C2=NC=C(C=N2)Br
InChI:	InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChI Key:	YHWLBBPOKRHVAR-UHFFFAOYSA-N
Boiling Point:	383.4 °C at 760 mmHg
Density:	1.516 g/cm³
MDL:	MFCD01314280
LogP:	1.04250

Publication Number	Title	Priority Date
WO-2020210669-A1	Crystalline forms of (s)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1h-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazinyl)-pyrimidin-5-yl)ethan-1-amine and methods of making	20190412
AU-2018263886-A1	Rapamycin analogs as mTOR inhibitors	20170502
WO-2018145021-A1	Atazanavir (atv) analogues for treating hiv infections	20170206
EP-3577110-B1	8-oxetan-3-yl-3,8-diazabicyclo[3.2.1]octan-3-yl substituted compounds as hiv inhibitors	20170206
KR-20180132626-A	Glycosidase inhibitor	20160225

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.01671
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.01671
Rotatable Bond Count:	1
Topological Polar Surface Area:	41 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7