4-Bromo-6-methylpyrimidine - CAS 69543-98-2

Catalog:	BB033865
Product Name:	4-Bromo-6-methylpyrimidine
CAS:	69543-98-2
Synonyms:	4-bromo-6-methylpyrimidine; 4-bromo-6-methylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-6-methylpyrimidine
Description:	4-Bromo-6-methylpyrimidine (CAS# 69543-98-2) is a useful research chemical.
Molecular Weight:	173.01
Molecular Formula:	C5H5BrN2
Canonical SMILES:	CC1=CC(=NC=N1)Br
InChI:	InChI=1S/C5H5BrN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3
InChI Key:	GBPCCNWUSHSRTM-UHFFFAOYSA-N
Boiling Point:	222.942 °C at 760 mmHg
Density:	1.597 g/cm³
MDL:	MFCD00234065
LogP:	1.54750

Publication Number	Title	Priority Date
WO-2021099527-A1	Pyrrolidine derivatives	20191122
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
US-10973805-B2	Macrocyclic azolopyridine derivatives as EED and PRC2 modulators	20190315

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.96361
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6