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Methyl 3-(4,6-Dichloro-5-pyrimidyl)butyrate

Methyl 3-(4,6-Dichloro-5-pyrimidyl)butyrate - CAS 1295516-49-2

Catalog:	BB007001
Product Name:	Methyl 3-(4,6-Dichloro-5-pyrimidyl)butyrate
CAS:	1295516-49-2
Synonyms:	3-(4,6-dichloro-5-pyrimidinyl)butanoic acid methyl ester; methyl 3-(4,6-dichloropyrimidin-5-yl)butanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-(4,6-dichloropyrimidin-5-yl)butanoate
Description:	Methyl 3-(4,6-Dichloro-5-pyrimidyl)butyrate (CAS# 1295516-49-2 ) is a useful research chemical.
Molecular Weight:	249.09
Molecular Formula:	C9H10Cl2N2O2
Canonical SMILES:	CC(CC(=O)OC)C1=C(N=CN=C1Cl)Cl
InChI:	InChI=1S/C9H10Cl2N2O2/c1-5(3-6(14)15-2)7-8(10)12-4-13-9(7)11/h4-5H,3H2,1-2H3
InChI Key:	BKTSPYPORGPMQE-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020156437-A1	Akt inhibitor	20190129
KR-20210120054-A	AKT inhibitors	20190129
EP-3068770-A1	Processes for the preparation of pyrimidinylcyclopentane compounds	20131115
EP-3068770-B1	Processes for the preparation of pyrimidinylcyclopentane compounds	20131115
EP-3656764-A1	Processes for the preparation of pyrimidinylcyclopentane compounds	20131115

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Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.011933
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.011933
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5