6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one

C12H8N2OS — CID 154352943

IUPAC6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cc3ccccc3s2)[nH]1
InChIInChI=1S/C12H8N2OS/c15-12-13-6-5-9(14-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H,13,14,15)
InChIKeyBXUWMLBHSLKFTD-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.65
Rot. Bonds1

About 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one

6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one (PubChem CID 154352943) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one
PubChem CID154352943
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2cc3ccccc3s2)[nH]1
InChIInChI=1S/C12H8N2OS/c15-12-13-6-5-9(14-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H,13,14,15)
InChIKeyBXUWMLBHSLKFTD-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-(1-benzothiophen-2-yl)-1H-pyrimidin-2-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

6-(1-benzothiophen-2-yl)-1H-pyridin-2-one
CID 53217900
6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one
CID 167786164
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2-(1-benzothiophen-2-yl)-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174770480
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
5-(1-benzothiophen-2-yl)pyrido[3,4-b]pyrazine
CID 170567146
5,10,15,20-tetrakis(1-benzothiophen-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 57137168
6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124954720
tris(2-(1-benzothiophen-2-yl)-3H-pyridin-3-ide);iridium(3+)
CID 87200937
4-(1-benzothiophen-2-yl)-2-(3-piperazin-1-ylpropyl)pyrimidine
CID 173121647

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one (CID 154352943) is 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one is O=c1nccc(-c2cc3ccccc3s2)[nH]1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one?
The InChIKey is BXUWMLBHSLKFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-12-13-6-5-9(14-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H,13,14,15).
What are the key properties of 6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one?
6-(1-benzothiophen-2-yl)-1H-pyrimidin-2-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-(1-benzothiophen-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 154352943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).