1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one

C10H9N3OS — CID 130791845

IUPAC1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one
SMILESO=C1CCN(c2ncc3sccc3n2)C1
InChIInChI=1S/C10H9N3OS/c14-7-1-3-13(6-7)10-11-5-9-8(12-10)2-4-15-9/h2,4-5H,1,3,6H2
InChIKeyRFCPUVITTXWLEV-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.47
Rot. Bonds1

About 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one

1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one (PubChem CID 130791845) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one.

Molecular Properties

Compound Name1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one
PubChem CID130791845
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one
SMILESO=C1CCN(c2ncc3sccc3n2)C1
InChIInChI=1S/C10H9N3OS/c14-7-1-3-13(6-7)10-11-5-9-8(12-10)2-4-15-9/h2,4-5H,1,3,6H2
InChIKeyRFCPUVITTXWLEV-UHFFFAOYSA-N
XLogP1.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one?
The IUPAC name of 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one (CID 130791845) is 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one.
What is the SMILES notation for 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one?
The canonical SMILES for 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one is O=C1CCN(c2ncc3sccc3n2)C1.
What is the InChIKey of 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one?
The InChIKey is RFCPUVITTXWLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-7-1-3-13(6-7)10-11-5-9-8(12-10)2-4-15-9/h2,4-5H,1,3,6H2.
What are the key properties of 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one?
1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one has a molecular weight of 219.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-3-one is sourced from PubChem (CID 130791845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).