5-Bromo-4-methylpyrimidine - CAS 1439-09-4

Name: 5-Bromo-4-methylpyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009689
Product Name:	5-Bromo-4-methylpyrimidine
CAS:	1439-09-4
Synonyms:	5-bromo-4-methylpyrimidine; 5-bromo-4-methylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-4-methylpyrimidine
Description:	5-Bromo-4-methylpyrimidine (CAS# 1439-09-4) is a useful research chemical.
Molecular Weight:	173.01
Molecular Formula:	C5H5BrN2
Canonical SMILES:	CC1=NC=NC=C1Br
InChI:	InChI=1S/C5H5BrN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3
InChI Key:	ALRPHTZYJPXPGN-UHFFFAOYSA-N
Boiling Point:	221.339 °C at 760 mmHg
Density:	1.597 g/cm³
MDL:	MFCD10000597
LogP:	1.54750

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Related Functional Groups

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

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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]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021099527-A1	Pyrrolidine derivatives	20191122
US-2021107889-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021070090-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315

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:	1.3