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

C13H9ClN2OS — CID 27065071

IUPAC3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2OS/c14-10-3-1-2-9(6-10)7-16-8-15-11-4-5-18-12(11)13(16)17/h1-6,8H,7H2
InChIKeyFGEJRLHQMMDKTO-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.16
Rot. Bonds2

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

3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 27065071) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID27065071
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2OS/c14-10-3-1-2-9(6-10)7-16-8-15-11-4-5-18-12(11)13(16)17/h1-6,8H,7H2
InChIKeyFGEJRLHQMMDKTO-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3-chlorophenyl)methyl]thieno[3,2-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

3-[(4-iodophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 115650943
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 40743497
4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577775
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
3-[(2-amino-1,3-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 79774558
3-[(3-amino-2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 43509260
3-[(6-hydrazinyl-3-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 62244842
3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62023205
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
3-[(E)-3-chloroprop-2-enyl]thieno[3,2-d]pyrimidin-4-one
CID 115575432

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 27065071) is 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FGEJRLHQMMDKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-10-3-1-2-9(6-10)7-16-8-15-11-4-5-18-12(11)13(16)17/h1-6,8H,7H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 276.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 27065071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).