3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione

C14H17N3O3S — CID 6486171

IUPAC3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H17N3O3S/c1-2-16-13(19)12-10(5-8-21-12)17(14(16)20)9-11(18)15-6-3-4-7-15/h5,8H,2-4,6-7,9H2,1H3
InChIKeyIFAONKKQJNKVHW-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.87
Rot. Bonds3

About 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione

3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 6486171) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID6486171
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H17N3O3S/c1-2-16-13(19)12-10(5-8-21-12)17(14(16)20)9-11(18)15-6-3-4-7-15/h5,8H,2-4,6-7,9H2,1H3
InChIKeyIFAONKKQJNKVHW-UHFFFAOYSA-N
XLogP0.87
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 6486171) is 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione is CCn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IFAONKKQJNKVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-16-13(19)12-10(5-8-21-12)17(14(16)20)9-11(18)15-6-3-4-7-15/h5,8H,2-4,6-7,9H2,1H3.
What are the key properties of 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione?
3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 307.38 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 6486171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).