3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

C12H16N4OS — CID 39746239

IUPAC3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1CCN1CCNCC1
InChIInChI=1S/C12H16N4OS/c17-12-10-1-8-18-11(10)14-9-16(12)7-6-15-4-2-13-3-5-15/h1,8-9,13H,2-7H2
InChIKeyQWXJWCHIBXLGNZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.36
Rot. Bonds3

About 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 39746239) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID39746239
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1CCN1CCNCC1
InChIInChI=1S/C12H16N4OS/c17-12-10-1-8-18-11(10)14-9-16(12)7-6-15-4-2-13-3-5-15/h1,8-9,13H,2-7H2
InChIKeyQWXJWCHIBXLGNZ-UHFFFAOYSA-N
XLogP0.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448926
3-(3-oxo-3-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 62047764
5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
CID 112557046
3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 61386927
2-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyridazine-3,6-dione
CID 39755774
3-[2-(prop-2-enylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 62564362
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 63316363
3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 120959512
3-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 56811674
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
CID 63578956
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464279
methyl 1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-4-carboxylate
CID 51328494

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (CID 39746239) is 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1CCN1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QWXJWCHIBXLGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c17-12-10-1-8-18-11(10)14-9-16(12)7-6-15-4-2-13-3-5-15/h1,8-9,13H,2-7H2.
What are the key properties of 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39746239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).