5-Bromo-2,4-dichloro-6-methylpyrimidine - CAS 56745-01-8

Catalog:	BB029480
Product Name:	5-Bromo-2,4-dichloro-6-methylpyrimidine
CAS:	56745-01-8
Synonyms:	5-bromo-2,4-dichloro-6-methylpyrimidine; 5-bromo-2,4-dichloro-6-methylpyrimidine

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Computed Properties

IUPAC Name:	5-bromo-2,4-dichloro-6-methylpyrimidine
Description:	5-Bromo-2,4-dichloro-6-methylpyrimidine (CAS# 56745-01-8) is a useful research chemical.
Molecular Weight:	241.90
Molecular Formula:	C5H3BrCl2N2
Canonical SMILES:	CC1=C(C(=NC(=N1)Cl)Cl)Br
InChI:	InChI=1S/C5H3BrCl2N2/c1-2-3(6)4(7)10-5(8)9-2/h1H3
InChI Key:	RRWAPFKBOJWJGU-UHFFFAOYSA-N
Boiling Point:	286.6 °C at 760 mmHg
Density:	1.829 g/cm³
MDL:	MFCD00504524
LogP:	2.85430

Publication Number	Title	Priority Date
WO-2021143823-A1	Pyridine or pyrimidine derivative, and preparation method therefor and use thereof	20200116
CN-112778276-A	Compound as SHP2 inhibitor and application thereof	20191108
WO-2021088945-A1	Compound as shp2 inhibitor and use thereof	20191108
CN-112552294-A	Piperazine heterocyclic derivative inhibitor, preparation method and application thereof	20190910
CN-111704611-A	Aryl spiro SHP2 inhibitor compound, preparation method and application	20190725

PMID	Publication Date	Title	Journal
21203203	20080716	3-Ethyl-sulfanyl-5-methyl-1-phenyl-7-(pyrrolidin-1-yl)-1H-pyrimido[4,5-e][1,3,4]thia-diazine	Acta crystallographica. Section E, Structure reports online

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Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.88567
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.88567
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2