3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C18H26N4O4S — CID 4075714

IUPAC3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOCCn1cnc2sc(C(=O)NCCN3CCOCC3)c(C)c2c1=O
InChIInChI=1S/C18H26N4O4S/c1-3-25-11-8-22-12-20-17-14(18(22)24)13(2)15(27-17)16(23)19-4-5-21-6-9-26-10-7-21/h12H,3-11H2,1-2H3,(H,19,23)
InChIKeyQNYKAAPKFZVHCZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.86
Rot. Bonds8

About 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4075714) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4075714
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOCCn1cnc2sc(C(=O)NCCN3CCOCC3)c(C)c2c1=O
InChIInChI=1S/C18H26N4O4S/c1-3-25-11-8-22-12-20-17-14(18(22)24)13(2)15(27-17)16(23)19-4-5-21-6-9-26-10-7-21/h12H,3-11H2,1-2H3,(H,19,23)
InChIKeyQNYKAAPKFZVHCZ-UHFFFAOYSA-N
XLogP0.86
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 4075714) is 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is CCOCCn1cnc2sc(C(=O)NCCN3CCOCC3)c(C)c2c1=O.
What is the InChIKey of 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QNYKAAPKFZVHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-3-25-11-8-22-12-20-17-14(18(22)24)13(2)15(27-17)16(23)19-4-5-21-6-9-26-10-7-21/h12H,3-11H2,1-2H3,(H,19,23).
What are the key properties of 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-methyl-N-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4075714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).