Ethyl 2-(2-Pyrimidyl)acetate - CAS 63155-11-3

Catalog:	BB032032
Product Name:	Ethyl 2-(2-Pyrimidyl)acetate
CAS:	63155-11-3
Synonyms:	2-(2-pyrimidinyl)acetic acid ethyl ester; ethyl 2-pyrimidin-2-ylacetate

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Computed Properties

IUPAC Name:	ethyl 2-pyrimidin-2-ylacetate
Description:	Ethyl 2-(2-Pyrimidyl)acetate (CAS# 63155-11-3) is a useful research chemical.
Molecular Weight:	166.18
Molecular Formula:	C8H10N2O2
Canonical SMILES:	CCOC(=O)CC1=NC=CC=N1
InChI:	InChI=1S/C8H10N2O2/c1-2-12-8(11)6-7-9-4-3-5-10-7/h3-5H,2,6H2,1H3
InChI Key:	DZQZAEMLHNEMEN-UHFFFAOYSA-N
Boiling Point:	238 °C
Density:	1.144 g/cm³
MDL:	MFCD09953517
LogP:	0.58220

Publication Number	Title	Priority Date
WO-2018148745-A1	Compounds and their methods of use	20170213
US-2020247793-A1	Compounds and their methods of use	20170213
KR-20180043343-A	Aryl, heteroaryl, and heterocyclic compounds for the treatment of medical disorders	20150826
EP-2922850-B1	Compounds and their methods of use	20121122
EP-3456719-A1	Compounds and their methods of use	20121122

PMID	Publication Date	Title	Journal
22592977	20120801	Synthesis and spectral characterization of new bis(2-(pyrimidin-2-yl)ethoxy)alkanes and their pharmacological activity	Archiv der Pharmazie

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Related Functional Groups

Carbonyl Compounds

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[2168559-63-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.074227566
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.074227566
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4