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

C13H9FN2OS — CID 18195406

IUPAC3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1cccc(F)c1
InChIInChI=1S/C13H9FN2OS/c14-10-3-1-2-9(6-10)7-16-8-15-12-11(13(16)17)4-5-18-12/h1-6,8H,7H2
InChIKeyABVJAMIGWHTBHY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.65
Rot. Bonds2

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

3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 18195406) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID18195406
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2ccsc2ncn1Cc1cccc(F)c1
InChIInChI=1S/C13H9FN2OS/c14-10-3-1-2-9(6-10)7-16-8-15-12-11(13(16)17)4-5-18-12/h1-6,8H,7H2
InChIKeyABVJAMIGWHTBHY-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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Related Compounds

3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338
N-[2-(3-fluorophenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25487216
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
1-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 20888514
3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 42092857
3-[(3-amino-5-bromophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 103350053
3-[(4-bromo-3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 115557852
3-[(4-amino-3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 62207639
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 40743497
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 18195406) is 3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one is O=c1c2ccsc2ncn1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ABVJAMIGWHTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-10-3-1-2-9(6-10)7-16-8-15-12-11(13(16)17)4-5-18-12/h1-6,8H,7H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one?
3-[(3-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-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18195406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).