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Diethyl 2-Chloro-4,5-pyrimidinedicarboxylate

Diethyl 2-Chloro-4,5-pyrimidinedicarboxylate - CAS 90794-84-6

Catalog:	BB039952
Product Name:	Diethyl 2-Chloro-4,5-pyrimidinedicarboxylate
CAS:	90794-84-6
Synonyms:	2-chloropyrimidine-4,5-dicarboxylic acid diethyl ester; diethyl 2-chloropyrimidine-4,5-dicarboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	diethyl 2-chloropyrimidine-4,5-dicarboxylate
Description:	Diethyl 2-Chloro-4,5-pyrimidinedicarboxylate (CAS# 90794-84-6) is a useful research chemical.
Molecular Weight:	258.66
Molecular Formula:	C10H11ClN2O4
Canonical SMILES:	CCOC(=O)C1=CN=C(N=C1C(=O)OCC)Cl
InChI:	InChI=1S/C10H11ClN2O4/c1-3-16-8(14)6-5-12-10(11)13-7(6)9(15)17-4-2/h5H,3-4H2,1-2H3
InChI Key:	VHQAZEHEYSOONS-UHFFFAOYSA-N
MDL:	MFCD16659907
LogP:	1.48340

Publication Number	Title	Priority Date
WO-9838171-A1	Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions	19970227
US-5852028-A	Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions	19951218
CA-2230896-A1	Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions	19950901
JP-H11512390-A	Pyrimidine carboxylate and related compounds and methods for treating inflammatory conditions	19950901
US-5935966-A	Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions	19950901

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.0407345
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	258.0407345
Rotatable Bond Count:	6
Topological Polar Surface Area:	78.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9