2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one

C11H12N4O2S — CID 135676900

IUPAC2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C1CN(Cc2nc3ccsc3c(=O)[nH]2)CCN1
InChIInChI=1S/C11H12N4O2S/c16-9-6-15(3-2-12-9)5-8-13-7-1-4-18-10(7)11(17)14-8/h1,4H,2-3,5-6H2,(H,12,16)(H,13,14,17)
InChIKeyCSIGAJDSWBWVOP-UHFFFAOYSA-N
MW264.31 g/mol
LogP-0.08
Rot. Bonds2

About 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135676900) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135676900
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C1CN(Cc2nc3ccsc3c(=O)[nH]2)CCN1
InChIInChI=1S/C11H12N4O2S/c16-9-6-15(3-2-12-9)5-8-13-7-1-4-18-10(7)11(17)14-8/h1,4H,2-3,5-6H2,(H,12,16)(H,13,14,17)
InChIKeyCSIGAJDSWBWVOP-UHFFFAOYSA-N
XLogP-0.08
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 135676900) is 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one is O=C1CN(Cc2nc3ccsc3c(=O)[nH]2)CCN1.
What is the InChIKey of 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CSIGAJDSWBWVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-9-6-15(3-2-12-9)5-8-13-7-1-4-18-10(7)11(17)14-8/h1,4H,2-3,5-6H2,(H,12,16)(H,13,14,17).
What are the key properties of 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 264.31 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135676900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).