2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C15H19N3O5S — CID 3235594

IUPAC2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O
InChIInChI=1S/C15H19N3O5S/c1-2-22-7-5-11-13(20)17-15(18-14(11)21)24-9-12(19)16-8-10-4-3-6-23-10/h3-4,6H,2,5,7-9H2,1H3,(H,16,19)(H2,17,18,20,21)
InChIKeyGFWOYQFREGGFRG-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.06
Rot. Bonds9

About 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3235594) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3235594
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O
InChIInChI=1S/C15H19N3O5S/c1-2-22-7-5-11-13(20)17-15(18-14(11)21)24-9-12(19)16-8-10-4-3-6-23-10/h3-4,6H,2,5,7-9H2,1H3,(H,16,19)(H2,17,18,20,21)
InChIKeyGFWOYQFREGGFRG-UHFFFAOYSA-N
XLogP1.06
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 3235594) is 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is CCOCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O.
What is the InChIKey of 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GFWOYQFREGGFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-2-22-7-5-11-13(20)17-15(18-14(11)21)24-9-12(19)16-8-10-4-3-6-23-10/h3-4,6H,2,5,7-9H2,1H3,(H,16,19)(H2,17,18,20,21).
What are the key properties of 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-ethoxyethyl)-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3235594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).