ethyl 2-(2-oxopyrimidin-1-yl)acetate

C8H10N2O3 — CID 13306026

IUPACethyl 2-(2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cccnc1=O
InChIInChI=1S/C8H10N2O3/c1-2-13-7(11)6-10-5-3-4-9-8(10)12/h3-5H,2,6H2,1H3
InChIKeyJMKGCXFPFFYILL-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.19
Rot. Bonds3

About ethyl 2-(2-oxopyrimidin-1-yl)acetate

ethyl 2-(2-oxopyrimidin-1-yl)acetate (PubChem CID 13306026) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 2-(2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxopyrimidin-1-yl)acetate
PubChem CID13306026
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 2-(2-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cccnc1=O
InChIInChI=1S/C8H10N2O3/c1-2-13-7(11)6-10-5-3-4-9-8(10)12/h3-5H,2,6H2,1H3
InChIKeyJMKGCXFPFFYILL-UHFFFAOYSA-N
XLogP-0.19
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-amino-2-oxopyrimidin-1-yl)acetate
CID 53910024
1-Ethoxycarbonylmethyl-5-fluoropyrimid-2-one
CID 20494297
Ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate
CID 81296532
Ethyl 2-fluoro-2-(5-methyl-2-oxopyrimidin-1-yl)acetate
CID 81298633
Ethyl 2-(5-chloro-2-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81677214
Ethyl 2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetate
CID 945735
1-Ethoxycarbonylmethyl-5-chloropyrimid-2-one
CID 13306027
2-(2-Oxopyrimidin-1-yl)ethyl 2,2-dimethylbutanoate
CID 59779777
2-(2H-pyrimidine-1-carbonylamino)ethyl acetate
CID 69721279
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate
CID 70376493
ethyl 2-(2H-pyrimidin-1-yl)acetate
CID 140392986
Ethyl 2-(6-amino-2-oxopyrimidin-1-yl)acetate
CID 140411655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(2-oxopyrimidin-1-yl)acetate (CID 13306026) is ethyl 2-(2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxopyrimidin-1-yl)acetate is CCOC(=O)Cn1cccnc1=O.
What is the InChIKey of ethyl 2-(2-oxopyrimidin-1-yl)acetate?
The InChIKey is JMKGCXFPFFYILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-13-7(11)6-10-5-3-4-9-8(10)12/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(2-oxopyrimidin-1-yl)acetate?
ethyl 2-(2-oxopyrimidin-1-yl)acetate has a molecular weight of 182.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 13306026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).