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5-Bromo-1-methylpyrimidine-2,4(1H,3H)-dione

5-Bromo-1-methylpyrimidine-2,4(1H,3H)-dione - CAS 6327-97-5

Catalog:	BB032086
Product Name:	5-Bromo-1-methylpyrimidine-2,4(1H,3H)-dione
CAS:	6327-97-5
Synonyms:	5-bromo-1-methylpyrimidine-2,4-dione; 5-bromo-1-methylpyrimidine-2,4-dione

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Computed Properties

IUPAC Name:	5-bromo-1-methylpyrimidine-2,4-dione
Description:	5-Bromo-1-methylpyrimidine-2,4(1H,3H)-dione (CAS# 6327-97-5) is a useful research chemical.
Molecular Weight:	205.01
Molecular Formula:	C5H5BrN2O2
Canonical SMILES:	CN1C=C(C(=O)NC1=O)Br
InChI:	InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(9)7-5(8)10/h2H,1H3,(H,7,9,10)
InChI Key:	PIVKLKRNXWUHSD-UHFFFAOYSA-N
Boiling Point:	286.6 °C at 760 mmHg
Density:	1.827 g/cm³
LogP:	-0.16390

Publication Number	Title	Priority Date
JP-2020534253-A	Oligonucleotide composition and its method	20170808
JP-6511692-B2	Hydroxypurine compound and its application	20150520
WO-2015054465-A1	Substituted nucleosides, nucleotides and analogs thereof	20131011
TW-201433567-A	Indazole derivatives	20130228
WO-2014069645-A1	Nucleoside analogue derivative and utilization thereof	20121101

PMID	Publication Date	Title	Journal
8080452	19940817	Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii	Biochemical pharmacology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.95344
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1