Ethyl 6-Hydroxypyrimidine-4-carboxylate - CAS 223788-14-5

Catalog:	BB017570
Product Name:	Ethyl 6-Hydroxypyrimidine-4-carboxylate
CAS:	223788-14-5
Synonyms:	6-oxo-1H-pyrimidine-4-carboxylic acid ethyl ester; ethyl 6-oxo-1H-pyrimidine-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 6-oxo-1H-pyrimidine-4-carboxylate
Description:	Ethyl 6-Hydroxypyrimidine-4-carboxylate (CAS# 223788-14-5) is a useful research chemical.
Molecular Weight:	168.15
Molecular Formula:	C7H8N2O3
Canonical SMILES:	CCOC(=O)C1=CC(=O)NC=N1
InChI:	InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-6(10)9-4-8-5/h3-4H,2H2,1H3,(H,8,9,10)
InChI Key:	RDEDWQDJPRDEBZ-UHFFFAOYSA-N
Density:	1.33 g/cm³
LogP:	-0.05340

Publication Number	Title	Priority Date
US-2020385398-A1	New bicyclic derivatives	20190607
WO-2020247747-A1	Bicyclic derivatives for treating endoparasites	20190607
KR-20200087922-A	(3-phenylisoxazolidin-2-yl)(piperidin-4-yl)methanone derivatives and pharmaceutical composition for use in preventing or treating kinase-related disease	20190111
WO-2020131631-A1	Bicyclic derivatives	20181218
CN-113490527-A	Bicyclic derivatives	20181218

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05349212
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.05349212
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3