6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

C15H20N4OS — CID 39163638

IUPAC6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1c(N2CCNCC2)nc2sc(CC)cc2c1=O
InChIInChI=1S/C15H20N4OS/c1-3-7-19-14(20)12-10-11(4-2)21-13(12)17-15(19)18-8-5-16-6-9-18/h3,10,16H,1,4-9H2,2H3
InChIKeyBAMJHQWDRYYDMX-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.62
Rot. Bonds4

About 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (PubChem CID 39163638) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
PubChem CID39163638
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1c(N2CCNCC2)nc2sc(CC)cc2c1=O
InChIInChI=1S/C15H20N4OS/c1-3-7-19-14(20)12-10-11(4-2)21-13(12)17-15(19)18-8-5-16-6-9-18/h3,10,16H,1,4-9H2,2H3
InChIKeyBAMJHQWDRYYDMX-UHFFFAOYSA-N
XLogP1.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-2-(oxan-2-ylmethylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 5185415
2-(1,4-diazepan-1-yl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82057606
2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 4780641
N-carbamoyl-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 3954942
methyl 5-[(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2514559
(2R)-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 2514569
6-ethyl-2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 2114281
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2514565
N-butyl-6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 70536745
2-(3,3-diethoxypropoxy)-6-ethyl-4-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 69379232
3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163734
2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine
CID 70537326

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (CID 39163638) is 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is C=CCn1c(N2CCNCC2)nc2sc(CC)cc2c1=O.
What is the InChIKey of 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is BAMJHQWDRYYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-7-19-14(20)12-10-11(4-2)21-13(12)17-15(19)18-8-5-16-6-9-18/h3,10,16H,1,4-9H2,2H3.
What are the key properties of 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 304.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-piperazin-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39163638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).