Methyl 4,6-Dichloropyrimidine-5-acetate - CAS 171096-33-6

Name: Methyl 4,6-Dichloropyrimidine-5-acetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012714
Product Name:	Methyl 4,6-Dichloropyrimidine-5-acetate
CAS:	171096-33-6
Synonyms:	2-(4,6-dichloro-5-pyrimidinyl)acetic acid methyl ester; methyl 2-(4,6-dichloropyrimidin-5-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(4,6-dichloropyrimidin-5-yl)acetate
Description:	Methyl 4,6-Dichloropyrimidine-5-acetate (CAS# 171096-33-6) is a useful research chemical.
Molecular Weight:	221.04
Molecular Formula:	C7H6Cl2N2O2
Canonical SMILES:	COC(=O)CC1=C(N=CN=C1Cl)Cl
InChI:	InChI=1S/C7H6Cl2N2O2/c1-13-5(12)2-4-6(8)10-3-11-7(4)9/h3H,2H2,1H3
InChI Key:	ORHWGOUAAWDYFP-UHFFFAOYSA-N
Appearance:	White powder
LogP:	1.49890

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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Publication Number	Title	Priority Date
WO-2020070181-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
CN-113039182-A	Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment	20181002
KR-20210072001-A	Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer	20181002
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AU-2017346516-A1	Piperidine derivatives as inhibitors of ubiquitin specific protease 7	20161020

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.9806328
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.9806328
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9