2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate

C19H20N2O4S — CID 4166482

IUPAC2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
SMILESCCOCCOC(=O)C(C)n1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C19H20N2O4S/c1-3-24-9-10-25-19(23)13(2)21-12-20-17-15(18(21)22)11-16(26-17)14-7-5-4-6-8-14/h4-8,11-13H,3,9-10H2,1-2H3
InChIKeyUGMYJOTWELKJFM-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.27
Rot. Bonds7

About 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate

2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate (PubChem CID 4166482) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
PubChem CID4166482
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate
SMILESCCOCCOC(=O)C(C)n1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C19H20N2O4S/c1-3-24-9-10-25-19(23)13(2)21-12-20-17-15(18(21)22)11-16(26-17)14-7-5-4-6-8-14/h4-8,11-13H,3,9-10H2,1-2H3
InChIKeyUGMYJOTWELKJFM-UHFFFAOYSA-N
XLogP3.27
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
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-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate?
The IUPAC name of 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate (CID 4166482) is 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate.
What is the SMILES notation for 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate?
The canonical SMILES for 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate is CCOCCOC(=O)C(C)n1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate?
The InChIKey is UGMYJOTWELKJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-24-9-10-25-19(23)13(2)21-12-20-17-15(18(21)22)11-16(26-17)14-7-5-4-6-8-14/h4-8,11-13H,3,9-10H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate?
2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate has a molecular weight of 372.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate is sourced from PubChem (CID 4166482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).