5-Bromo-2-ethylpyrimidine - CAS 873331-73-8

Catalog:	BB038383
Product Name:	5-Bromo-2-ethylpyrimidine
CAS:	873331-73-8
Synonyms:	5-bromo-2-ethylpyrimidine; 5-bromo-2-ethylpyrimidine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-2-ethylpyrimidine
Description:	5-Bromo-2-ethylpyrimidine (CAS# 873331-73-8) is a useful research chemical.
Molecular Weight:	187.04
Molecular Formula:	C6H7BrN2
Canonical SMILES:	CCC1=NC=C(C=N1)Br
InChI:	InChI=1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChI Key:	SQOJDBHJUUGQJP-UHFFFAOYSA-N
Boiling Point:	211.751 °C at 760 mmHg
Density:	1.498 g/cm³
MDL:	MFCD14707237
LogP:	1.80150

Publication Number	Title	Priority Date
US-2020069646-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180829
US-2020069695-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180829
US-10959986-B2	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180829
EP-3555079-A1	Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof	20161219
WO-2018118793-A1	Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof	20161219

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Complexity:	79.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.97926
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.97926
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7