4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one

C10H10N4OS — CID 9113696

IUPAC4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
SMILESO=C1CN(c2ncnc3sccc23)CCN1
InChIInChI=1S/C10H10N4OS/c15-8-5-14(3-2-11-8)9-7-1-4-16-10(7)13-6-12-9/h1,4,6H,2-3,5H2,(H,11,15)
InChIKeyGDFAQKYHVHELEF-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.63
Rot. Bonds1

About 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one

4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one (PubChem CID 9113696) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one.

Molecular Properties

Compound Name4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
PubChem CID9113696
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
SMILESO=C1CN(c2ncnc3sccc23)CCN1
InChIInChI=1S/C10H10N4OS/c15-8-5-14(3-2-11-8)9-7-1-4-16-10(7)13-6-12-9/h1,4,6H,2-3,5H2,(H,11,15)
InChIKeyGDFAQKYHVHELEF-UHFFFAOYSA-N
XLogP0.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one
CID 86923357
(7S)-7-methyl-1-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-5-one
CID 95617650
1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)imidazolidin-2-one
CID 56815569
4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
CID 171326741
4-(7-chloroquinazolin-4-yl)piperazin-2-one
CID 24507988
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-(5-aminopyrimidin-4-yl)piperazin-2-one
CID 79910176
3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 103725139
4-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one
CID 91641624
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387

Frequently Asked Questions

What is the IUPAC name of 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one?
The IUPAC name of 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one (CID 9113696) is 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one.
What is the SMILES notation for 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one?
The canonical SMILES for 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one is O=C1CN(c2ncnc3sccc23)CCN1.
What is the InChIKey of 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one?
The InChIKey is GDFAQKYHVHELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c15-8-5-14(3-2-11-8)9-7-1-4-16-10(7)13-6-12-9/h1,4,6H,2-3,5H2,(H,11,15).
What are the key properties of 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one?
4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one has a molecular weight of 234.28 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one is sourced from PubChem (CID 9113696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).