Ethyl 5-pyrimidinecarboxylate - CAS 40929-50-8

Name: Ethyl 5-pyrimidinecarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024720
Product Name:	Ethyl 5-pyrimidinecarboxylate
CAS:	40929-50-8
Synonyms:	ethyl pyrimidine-5-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	ethyl pyrimidine-5-carboxylate
Description:	Ethyl 5-pyrimidinecarboxylate (CAS# 40929-50-8) is a useful research chemical.
Molecular Weight:	152.15
Molecular Formula:	C7H8N2O2
Canonical SMILES:	CCOC(=O)C1=CN=CN=C1
InChI:	InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
InChI Key:	YCWDQAKDVQNVAR-UHFFFAOYSA-N
Boiling Point:	103 °C
Purity:	95 %
Density:	1.16 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD03094043
LogP:	0.65330

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3664806-A1	Apelin receptor agonists and methods of use thereof	20170809
WO-2019032720-A1	APELIN RECEPTOR AGONISTS AND METHODS OF USE	20170809
US-2021040098-A1	Apelin receptor agonists and methods of use thereof	20170809
EP-3541805-B1	Heteroaryl-substituted triazoles as apj receptor agonists	20161116
US-11046680-B1	Heteroaryl-substituted triazoles as APJ receptor agonists	20161116

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.058577502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5