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

C13H9FN2OS — CID 3706418

IUPAC3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1ccccc1F
InChIInChI=1S/C13H9FN2OS/c14-11-4-2-1-3-9(11)7-16-8-15-12-10(13(16)17)5-6-18-12/h1-6,8H,7H2
InChIKeyHUKMFIFSHYKCAY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.65
Rot. Bonds2

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

3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 3706418) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID3706418
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1ccccc1F
InChIInChI=1S/C13H9FN2OS/c14-11-4-2-1-3-9(11)7-16-8-15-12-10(13(16)17)5-6-18-12/h1-6,8H,7H2
InChIKeyHUKMFIFSHYKCAY-UHFFFAOYSA-N
XLogP2.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 3706418) is 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HUKMFIFSHYKCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-11-4-2-1-3-9(11)7-16-8-15-12-10(13(16)17)5-6-18-12/h1-6,8H,7H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 260.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3706418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).