1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one

C10H6Br2N2OS — CID 107603567

IUPAC1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one
SMILESO=c1ccn(-c2c(Br)cccc2Br)c(=S)[nH]1
InChIInChI=1S/C10H6Br2N2OS/c11-6-2-1-3-7(12)9(6)14-5-4-8(15)13-10(14)16/h1-5H,(H,13,15,16)
InChIKeyJHPRUDXMPOOMNQ-UHFFFAOYSA-N
MW362.05 g/mol
LogP3.42
Rot. Bonds1

About 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one

1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one (PubChem CID 107603567) has the molecular formula C10H6Br2N2OS and a molecular weight of 362.05 g/mol. Its IUPAC name is 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one
PubChem CID107603567
Molecular FormulaC10H6Br2N2OS
Molecular Weight362.05 g/mol
Exact Mass359.86
IUPAC Name1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one
SMILESO=c1ccn(-c2c(Br)cccc2Br)c(=S)[nH]1
InChIInChI=1S/C10H6Br2N2OS/c11-6-2-1-3-7(12)9(6)14-5-4-8(15)13-10(14)16/h1-5H,(H,13,15,16)
InChIKeyJHPRUDXMPOOMNQ-UHFFFAOYSA-N
XLogP3.42
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-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

1-(2,3-dimethylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62404849
1-(2,6-difluoro-3-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 82819757
1-(3-fluoro-2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62402920
1-(3-phenoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62402563
1-naphthalen-2-yl-2-sulfanylidenepyrimidin-4-one
CID 21484612
1-pyridin-3-yl-2-sulfanylidenepyrimidin-4-one
CID 62403436
2-sulfanylidene-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-one
CID 62402366
1-(1-methylpyrazol-3-yl)-2-sulfanylidenepyrimidin-4-one
CID 79786105
4-(2,6-dibromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 107603632
2-fluoro-6-(4-oxo-2-sulfanylidenepyrimidin-1-yl)benzonitrile
CID 62895977
2-methyl-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)isoindole-1,3-dione
CID 62402735
2-sulfanylidene-1-(2,3,5-trifluorophenyl)pyrimidin-4-one
CID 62813465

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one (CID 107603567) is 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one is O=c1ccn(-c2c(Br)cccc2Br)c(=S)[nH]1.
What is the InChIKey of 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one?
The InChIKey is JHPRUDXMPOOMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2OS/c11-6-2-1-3-7(12)9(6)14-5-4-8(15)13-10(14)16/h1-5H,(H,13,15,16).
What are the key properties of 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one?
1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one has a molecular weight of 362.05 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromophenyl)-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 107603567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).