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

C13H16N2O5 — CID 57398904

IUPAC2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCOCCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
InChIInChI=1S/C13H16N2O5/c1-3-8-7-9(16)20-12-10(8)11(17)14-13(15-12)19-6-5-18-4-2/h7H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyBWVFNGTUDPWZHM-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.85
Rot. Bonds6

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

2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57398904) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57398904
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCOCCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1
InChIInChI=1S/C13H16N2O5/c1-3-8-7-9(16)20-12-10(8)11(17)14-13(15-12)19-6-5-18-4-2/h7H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyBWVFNGTUDPWZHM-UHFFFAOYSA-N
XLogP0.85
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.85
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 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57398904) is 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCOCCOc1nc2oc(=O)cc(CC)c2c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BWVFNGTUDPWZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-3-8-7-9(16)20-12-10(8)11(17)14-13(15-12)19-6-5-18-4-2/h7H,3-6H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 280.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57398904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).