6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

C12H8N2OS — CID 135468292

IUPAC6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccccc3)sc12
InChIInChI=1S/C12H8N2OS/c15-12-11-9(13-7-14-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H,13,14,15)
InChIKeyXSAILWORLBSSMS-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.65
Rot. Bonds1

About 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one

6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135468292) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135468292
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccccc3)sc12
InChIInChI=1S/C12H8N2OS/c15-12-11-9(13-7-14-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H,13,14,15)
InChIKeyXSAILWORLBSSMS-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-phenyl-3H-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

5,6,7,8-Tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
CID 98614
5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 665387
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
6-ethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 645569
5-(4-fluorophenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 727600
3-Amino-5-phenylthiophene-2-carboxamide
CID 2756534
2-phenyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 3310123
5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 709311
2-(chloromethyl)-6-(4-fluorophenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135526781
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
8-Chlorobenzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one
CID 135856861

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 135468292) is 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2cc(-c3ccccc3)sc12.
What is the InChIKey of 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XSAILWORLBSSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12-11-9(13-7-14-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H,13,14,15).
What are the key properties of 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one?
6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 228.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135468292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).