Ethyl 2-(4,6-Dihydroxy-5-pyrimidyl)acetate - CAS 1095822-20-0

Catalog:	BB002513
Product Name:	Ethyl 2-(4,6-Dihydroxy-5-pyrimidyl)acetate
CAS:	1095822-20-0
Synonyms:	2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetic acid ethyl ester; ethyl 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetate

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Computed Properties

IUPAC Name:	ethyl 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetate
Description:	Ethyl 2-(4,6-Dihydroxy-5-pyrimidyl)acetate (CAS# 1095822-20-0 ) is a useful research chemical.
Molecular Weight:	198.18
Molecular Formula:	C8H10N2O4
Canonical SMILES:	CCOC(=O)CC1=C(N=CNC1=O)O
InChI:	InChI=1S/C8H10N2O4/c1-2-14-6(11)3-5-7(12)9-4-10-8(5)13/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChI Key:	CXFWVKQYNKXWNT-UHFFFAOYSA-N
MDL:	MFCD20527459
LogP:	-0.00660

Publication Number	Title	Priority Date
AU-2009314324-A1	AKT and p70 S6 kinase inhibitors	20081111
AU-2009314324-B2	AKT and p70 S6 kinase inhibitors	20081111
CA-2743019-A1	Akt and p70 s6 kinase inhibitors	20081111
CA-2743019-C	Akt and p70 s6 kinase inhibitors	20081111
EP-2358710-B1	Akt and p70 s6 kinase inhibitors	20081111

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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]
Oxiran-2-yl(phenyl)methanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.06405680
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	198.06405680
Rotatable Bond Count:	4
Topological Polar Surface Area:	88 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7