5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C12H14N2O5 — CID 57393655

IUPAC5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCCOC)[nH]c(=O)c12
InChIInChI=1S/C12H14N2O5/c1-3-7-6-8(15)19-11-9(7)10(16)13-12(14-11)18-5-4-17-2/h6H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyVLIRYUXKIDWREJ-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.46
Rot. Bonds5

About 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57393655) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57393655
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCCOC)[nH]c(=O)c12
InChIInChI=1S/C12H14N2O5/c1-3-7-6-8(15)19-11-9(7)10(16)13-12(14-11)18-5-4-17-2/h6H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyVLIRYUXKIDWREJ-UHFFFAOYSA-N
XLogP0.46
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57393655) is 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCCOC)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is VLIRYUXKIDWREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-3-7-6-8(15)19-11-9(7)10(16)13-12(14-11)18-5-4-17-2/h6H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 266.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methoxyethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57393655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).