3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C18H20N4O3S — CID 4070562

IUPAC3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOCCn1cnc2sc(C(=O)NCc3ccccn3)c(C)c2c1=O
InChIInChI=1S/C18H20N4O3S/c1-3-25-9-8-22-11-21-17-14(18(22)24)12(2)15(26-17)16(23)20-10-13-6-4-5-7-19-13/h4-7,11H,3,8-10H2,1-2H3,(H,20,23)
InChIKeyUZGICOWGUYUGNE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.13
Rot. Bonds7

About 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4070562) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4070562
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOCCn1cnc2sc(C(=O)NCc3ccccn3)c(C)c2c1=O
InChIInChI=1S/C18H20N4O3S/c1-3-25-9-8-22-11-21-17-14(18(22)24)12(2)15(26-17)16(23)20-10-13-6-4-5-7-19-13/h4-7,11H,3,8-10H2,1-2H3,(H,20,23)
InChIKeyUZGICOWGUYUGNE-UHFFFAOYSA-N
XLogP2.13
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
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 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4070562) is 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is CCOCCn1cnc2sc(C(=O)NCc3ccccn3)c(C)c2c1=O.
What is the InChIKey of 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UZGICOWGUYUGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-25-9-8-22-11-21-17-14(18(22)24)12(2)15(26-17)16(23)20-10-13-6-4-5-7-19-13/h4-7,11H,3,8-10H2,1-2H3,(H,20,23).
What are the key properties of 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-methyl-4-oxo-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4070562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).