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Methyl 5-Bromo-2-(methylthio)-4-pyrimidinecarboxylate

Methyl 5-Bromo-2-(methylthio)-4-pyrimidinecarboxylate - CAS 50593-91-4

Catalog:	BB027125
Product Name:	Methyl 5-Bromo-2-(methylthio)-4-pyrimidinecarboxylate
CAS:	50593-91-4
Synonyms:	5-bromo-2-(methylthio)-4-pyrimidinecarboxylic acid methyl ester; methyl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate
Description:	Methyl 5-Bromo-2-(methylthio)-4-pyrimidinecarboxylate (CAS# 50593-91-4) is a useful research chemical.
Molecular Weight:	263.11
Molecular Formula:	C7H7BrN2O2S
Canonical SMILES:	COC(=O)C1=NC(=NC=C1Br)SC
InChI:	InChI=1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
InChI Key:	MYZJIEWTRJTWCD-UHFFFAOYSA-N
Solubility:	Slightly soluble in water (0.42 g/L).
MDL:	MFCD05664428
LogP:	1.74760

Publication Number	Title	Priority Date
WO-2021011713-A1	Imidazopyrimidines as eed inhibitors and the use thereof	20190716
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2021300918-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
WO-2020171499-A1	Novel pyrido[3,4-d]pyrimidin-8-one derivative having protein kinase inhibitory activity, and pharmaceutical composition for preventing, alleviating, or treating cancer, comprising same	20190218
KR-20200100429-A	NOVEL PYRIDO[3,4-d]PYRIMIDIN-8-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS AND COMPOSITIONS FOR PREVENTING, IMPROVING OR TREATING CANCER CONTAINING THE SAME	20190218

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.94116
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.94116
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9