3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one

C16H18N4O2S — CID 39163734

IUPAC3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(N2CCNCC2)nc2scc(-c3ccco3)c2c1=O
InChIInChI=1S/C16H18N4O2S/c1-2-20-15(21)13-11(12-4-3-9-22-12)10-23-14(13)18-16(20)19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyKGWLDLHJJBULDY-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.15
Rot. Bonds3

About 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one

3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 39163734) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID39163734
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(N2CCNCC2)nc2scc(-c3ccco3)c2c1=O
InChIInChI=1S/C16H18N4O2S/c1-2-20-15(21)13-11(12-4-3-9-22-12)10-23-14(13)18-16(20)19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyKGWLDLHJJBULDY-UHFFFAOYSA-N
XLogP2.15
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-2-piperazin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 39163694
N-tert-butyl-2-[3-ethyl-5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 17430622
3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163546
3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
CID 512191
2-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]acetonitrile
CID 39158810
3-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28899915
7-ethyl-2-(furan-2-ylmethylsulfanyl)-1-methyl-8-piperazin-1-ylpurin-6-one
CID 70859794
5-(furan-2-yl)-2-(2-oxopropylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 2386969
2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetaldehyde
CID 143287330
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 512199
4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896910
5-(furan-2-yl)-2-(oxan-2-ylmethylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 42966759

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one (CID 39163734) is 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one is CCn1c(N2CCNCC2)nc2scc(-c3ccco3)c2c1=O.
What is the InChIKey of 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KGWLDLHJJBULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-2-20-15(21)13-11(12-4-3-9-22-12)10-23-14(13)18-16(20)19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8H2,1H3.
What are the key properties of 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one?
3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39163734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).