6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one

C14H14F2N2OS — CID 24749495

IUPAC6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCc1c(C(C)c2c(F)cccc2F)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C14H14F2N2OS/c1-3-8-12(17-14(20)18-13(8)19)7(2)11-9(15)5-4-6-10(11)16/h4-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyOTYGAHZSTALUCJ-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.42
Rot. Bonds3

About 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one

6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 24749495) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID24749495
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCc1c(C(C)c2c(F)cccc2F)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C14H14F2N2OS/c1-3-8-12(17-14(20)18-13(8)19)7(2)11-9(15)5-4-6-10(11)16/h4-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyOTYGAHZSTALUCJ-UHFFFAOYSA-N
XLogP3.42
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-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

4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 135771930
5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83952902
2-butan-2-ylsulfanyl-4-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-1H-pyrimidin-6-one
CID 136624358
5-[(2-chloro-6-fluorophenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83952905
6-[1-(2,6-difluorophenyl)propyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 10912987
3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 5226945
5-ethyl-2-sulfanylidene-6-(thiophen-2-ylmethyl)-1H-pyrimidin-4-one
CID 15866932
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
5-[(2,3-dichlorophenyl)methyl]-6-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83954837
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
6-ethyl-2-sulfanylidene-5-(thiophen-2-ylmethyl)-1H-pyrimidin-4-one
CID 83951532
5-[(4-hydroxyphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83950685

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 24749495) is 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one is CCc1c(C(C)c2c(F)cccc2F)[nH]c(=S)[nH]c1=O.
What is the InChIKey of 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is OTYGAHZSTALUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c1-3-8-12(17-14(20)18-13(8)19)7(2)11-9(15)5-4-6-10(11)16/h4-7H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one?
6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 296.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,6-difluorophenyl)ethyl]-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 24749495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).