ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate

C10H8N2O5 — CID 15258659

IUPACethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]cnc2oc1=O
InChIInChI=1S/C10H8N2O5/c1-2-16-9(14)6-3-5-7(13)11-4-12-8(5)17-10(6)15/h3-4H,2H2,1H3,(H,11,12,13)
InChIKeyMPAIUIPOSVFYLA-UHFFFAOYSA-N
MW236.18 g/mol
LogP0.05
Rot. Bonds2

About ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate

ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate (PubChem CID 15258659) has the molecular formula C10H8N2O5 and a molecular weight of 236.18 g/mol. Its IUPAC name is ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate
PubChem CID15258659
Molecular FormulaC10H8N2O5
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Nameethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]cnc2oc1=O
InChIInChI=1S/C10H8N2O5/c1-2-16-9(14)6-3-5-7(13)11-4-12-8(5)17-10(6)15/h3-4H,2H2,1H3,(H,11,12,13)
InChIKeyMPAIUIPOSVFYLA-UHFFFAOYSA-N
XLogP0.05
TPSA102.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate (CID 15258659) is ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(=O)[nH]cnc2oc1=O.
What is the InChIKey of ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MPAIUIPOSVFYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5/c1-2-16-9(14)6-3-5-7(13)11-4-12-8(5)17-10(6)15/h3-4H,2H2,1H3,(H,11,12,13).
What are the key properties of ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate?
ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 236.18 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 15258659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).