ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate

C11H11N3O4 — CID 139690765

IUPACethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c2cccnc2c1=O
InChIInChI=1S/C11H11N3O4/c1-2-18-8(15)6-14-10(16)9-7(13-11(14)17)4-3-5-12-9/h3-5H,2,6H2,1H3,(H,13,17)
InChIKeyAIMPDHUMYMMMBA-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.35
Rot. Bonds3

About ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate

ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate (PubChem CID 139690765) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate
PubChem CID139690765
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Nameethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c2cccnc2c1=O
InChIInChI=1S/C11H11N3O4/c1-2-18-8(15)6-14-10(16)9-7(13-11(14)17)4-3-5-12-9/h3-5H,2,6H2,1H3,(H,13,17)
InChIKeyAIMPDHUMYMMMBA-UHFFFAOYSA-N
XLogP-0.35
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[6-fluoro-7-(1H-imidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]acetate
CID 19744055
diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 57068684
2-(4-oxo-2-sulfanylidene-1H-pyrido[3,2-d]pyrimidin-3-yl)acetohydrazide
CID 14639317
ethyl 2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)acetate
CID 82017351
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
2-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]oxyethyl-diethyl-methylazanium iodide
CID 18527687
ethyl 4-(2-amino-5-iodophenyl)-4-oxobutanoate;ethyl 2-(6-iodo-2,4-dioxo-1H-quinazolin-3-yl)acetate
CID 159802891
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 167942471
ethane;3-ethyl-1H-imidazo[4,5-b]pyridin-2-one
CID 91018221
ethyl 2-(5-methyl-2,4-dioxo-6-phenyl-1H-thieno[2,3-d]pyrimidin-3-yl)acetate
CID 10665129
ethyl 4-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanoate
CID 79289071

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate (CID 139690765) is ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate is CCOC(=O)Cn1c(=O)[nH]c2cccnc2c1=O.
What is the InChIKey of ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate?
The InChIKey is AIMPDHUMYMMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-2-18-8(15)6-14-10(16)9-7(13-11(14)17)4-3-5-12-9/h3-5H,2,6H2,1H3,(H,13,17).
What are the key properties of ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate?
ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate has a molecular weight of 249.23 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 139690765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).