4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one

C10H9ClN4OS — CID 171704646

IUPAC4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2nc(Cl)nc3ccsc23)CCN1
InChIInChI=1S/C10H9ClN4OS/c11-10-13-6-1-4-17-8(6)9(14-10)15-3-2-12-7(16)5-15/h1,4H,2-3,5H2,(H,12,16)
InChIKeySCJHECVGKJOVNL-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.28
Rot. Bonds1

About 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one

4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 171704646) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one
PubChem CID171704646
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2nc(Cl)nc3ccsc23)CCN1
InChIInChI=1S/C10H9ClN4OS/c11-10-13-6-1-4-17-8(6)9(14-10)15-3-2-12-7(16)5-15/h1,4H,2-3,5H2,(H,12,16)
InChIKeySCJHECVGKJOVNL-UHFFFAOYSA-N
XLogP1.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one (CID 171704646) is 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one is O=C1CN(c2nc(Cl)nc3ccsc23)CCN1.
What is the InChIKey of 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is SCJHECVGKJOVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-10-13-6-1-4-17-8(6)9(14-10)15-3-2-12-7(16)5-15/h1,4H,2-3,5H2,(H,12,16).
What are the key properties of 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one?
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 268.73 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 171704646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).