6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one

C17H16N2OS — CID 18100074

IUPAC6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(C/C=C/c3ccccc3)cnc2s1
InChIInChI=1S/C17H16N2OS/c1-2-14-11-15-16(21-14)18-12-19(17(15)20)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3/b9-6+
InChIKeyLAYTXBLGXICHMF-RMKNXTFCSA-N
MW296.39 g/mol
LogP3.73
Rot. Bonds4

About 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 18100074) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID18100074
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(C/C=C/c3ccccc3)cnc2s1
InChIInChI=1S/C17H16N2OS/c1-2-14-11-15-16(21-14)18-12-19(17(15)20)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3/b9-6+
InChIKeyLAYTXBLGXICHMF-RMKNXTFCSA-N
XLogP3.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one (CID 18100074) is 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(C/C=C/c3ccccc3)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LAYTXBLGXICHMF-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-14-11-15-16(21-14)18-12-19(17(15)20)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3/b9-6+.
What are the key properties of 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 296.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18100074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).