2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C14H12N2O2S — CID 63613129

IUPAC2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2csc3ccccc23)[nH]c1=O
InChIInChI=1S/C14H12N2O2S/c1-2-8-13(17)15-12(16-14(8)18)10-7-19-11-6-4-3-5-9(10)11/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyXBORTNYVIQVYGO-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.92
Rot. Bonds2

About 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63613129) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63613129
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2csc3ccccc23)[nH]c1=O
InChIInChI=1S/C14H12N2O2S/c1-2-8-13(17)15-12(16-14(8)18)10-7-19-11-6-4-3-5-9(10)11/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyXBORTNYVIQVYGO-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-5-bromo-4-hydroxy-1H-pyrimidin-6-one
CID 66311722
CID 146598306
CID 146598306
5-ethyl-2-(5-ethylthiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 55215667
2-(1-benzofuran-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63613792
5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one
CID 63611281
5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one
CID 63613790
5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 63613617
2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216244
2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113393855
2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612642
4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 63612440
5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 63611285

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63613129) is 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(-c2csc3ccccc23)[nH]c1=O.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XBORTNYVIQVYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-8-13(17)15-12(16-14(8)18)10-7-19-11-6-4-3-5-9(10)11/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 272.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63613129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).