ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate

C8H12N2O4 — CID 155378640

IUPACethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate
SMILESCCOC(=O)CN1C=CC(O)NC1=O
InChIInChI=1S/C8H12N2O4/c1-2-14-7(12)5-10-4-3-6(11)9-8(10)13/h3-4,6,11H,2,5H2,1H3,(H,9,13)
InChIKeyZPEZITQQHXWKFX-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.59
Rot. Bonds3

About ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate

ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate (PubChem CID 155378640) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate
PubChem CID155378640
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate
SMILESCCOC(=O)CN1C=CC(O)NC1=O
InChIInChI=1S/C8H12N2O4/c1-2-14-7(12)5-10-4-3-6(11)9-8(10)13/h3-4,6,11H,2,5H2,1H3,(H,9,13)
InChIKeyZPEZITQQHXWKFX-UHFFFAOYSA-N
XLogP-0.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
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2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107553
ethyl 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98176611
2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetic acid
CID 101269031
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)acetate
CID 62739790
ethyl 2-(5-cyclobutyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 129463261
ethyl 2-(3-oxo-2-azabicyclo[2.2.1]hept-5-en-2-yl)acetate
CID 64592796
ethyl (3S,4R)-1-(2-ethoxy-2-oxoethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 34175728
ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968656
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate (CID 155378640) is ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate is CCOC(=O)CN1C=CC(O)NC1=O.
What is the InChIKey of ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate?
The InChIKey is ZPEZITQQHXWKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-14-7(12)5-10-4-3-6(11)9-8(10)13/h3-4,6,11H,2,5H2,1H3,(H,9,13).
What are the key properties of ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate?
ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate has a molecular weight of 200.19 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate is sourced from PubChem (CID 155378640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).