methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate

C11H10N2O5 — CID 15605500

IUPACmethyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate
SMILESCCc1cc(=O)oc2nc(C(=O)OC)[nH]c(=O)c12
InChIInChI=1S/C11H10N2O5/c1-3-5-4-6(14)18-10-7(5)9(15)12-8(13-10)11(16)17-2/h4H,3H2,1-2H3,(H,12,13,15)
InChIKeyMJLAQPZDJNEMAT-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.23
Rot. Bonds2

About methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate

methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate (PubChem CID 15605500) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate
PubChem CID15605500
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Namemethyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate
SMILESCCc1cc(=O)oc2nc(C(=O)OC)[nH]c(=O)c12
InChIInChI=1S/C11H10N2O5/c1-3-5-4-6(14)18-10-7(5)9(15)12-8(13-10)11(16)17-2/h4H,3H2,1-2H3,(H,12,13,15)
InChIKeyMJLAQPZDJNEMAT-UHFFFAOYSA-N
XLogP0.23
TPSA102.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate (CID 15605500) is methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate is CCc1cc(=O)oc2nc(C(=O)OC)[nH]c(=O)c12.
What is the InChIKey of methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate?
The InChIKey is MJLAQPZDJNEMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-3-5-4-6(14)18-10-7(5)9(15)12-8(13-10)11(16)17-2/h4H,3H2,1-2H3,(H,12,13,15).
What are the key properties of methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate?
methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 15605500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).