1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one

C17H15FN4OS — CID 39834301

IUPAC1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
SMILESO=C1CN(c2ncnc3sccc23)CCN1Cc1cccc(F)c1
InChIInChI=1S/C17H15FN4OS/c18-13-3-1-2-12(8-13)9-21-5-6-22(10-15(21)23)16-14-4-7-24-17(14)20-11-19-16/h1-4,7-8,11H,5-6,9-10H2
InChIKeyWVKJJOCXSPUHBN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.68
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one

1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one (PubChem CID 39834301) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
PubChem CID39834301
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
SMILESO=C1CN(c2ncnc3sccc23)CCN1Cc1cccc(F)c1
InChIInChI=1S/C17H15FN4OS/c18-13-3-1-2-12(8-13)9-21-5-6-22(10-15(21)23)16-14-4-7-24-17(14)20-11-19-16/h1-4,7-8,11H,5-6,9-10H2
InChIKeyWVKJJOCXSPUHBN-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one (CID 39834301) is 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one is O=C1CN(c2ncnc3sccc23)CCN1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one?
The InChIKey is WVKJJOCXSPUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-13-3-1-2-12(8-13)9-21-5-6-22(10-15(21)23)16-14-4-7-24-17(14)20-11-19-16/h1-4,7-8,11H,5-6,9-10H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one?
1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one is sourced from PubChem (CID 39834301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).