Ethyl 2-Pyrimidinecarboxylate - CAS 42839-08-7

Catalog:	BB025245
Product Name:	Ethyl 2-Pyrimidinecarboxylate
CAS:	42839-08-7
Synonyms:	2-pyrimidinecarboxylic acid ethyl ester; ethyl pyrimidine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl pyrimidine-2-carboxylate
Description:	Ethyl 2-Pyrimidinecarboxylate (CAS# 42839-08-7) is a useful research chemical.
Molecular Weight:	152.15
Molecular Formula:	C7H8N2O2
Canonical SMILES:	CCOC(=O)C1=NC=CC=N1
InChI:	InChI=1S/C7H8N2O2/c1-2-11-7(10)6-8-4-3-5-9-6/h3-5H,2H2,1H3
InChI Key:	PYFMAAFCQDFHJX-UHFFFAOYSA-N
Boiling Point:	262.328 °C at 760 mmHg
Density:	1.168 g/cm³
MDL:	MFCD12197317
LogP:	0.65330

Publication Number	Title	Priority Date
WO-2021210586-A1	Condensed heterocyclic compound	20200414
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021175913-A1	Monoacylglycerol lipase inhibitors	20200304
CN-110452180-A	A method of the synthesis chloro- 5- amino -6- pyrimidinecarboxylic acid ethyl ester of 2-	20190625
CN-112955439-A	Aromatic molecules for the treatment of pathological conditions	20180824

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3