4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine

C5H3Cl2IN2O2S — CID 133080967

IUPAC4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C5H3Cl2IN2O2S/c1-13(11,12)5-9-3(6)2(8)4(7)10-5/h1H3
InChIKeyFHNJKEXKESRKPQ-UHFFFAOYSA-N
MW352.97 g/mol
LogP1.79
Rot. Bonds1

About 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine

4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine (PubChem CID 133080967) has the molecular formula C5H3Cl2IN2O2S and a molecular weight of 352.97 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine
PubChem CID133080967
Molecular FormulaC5H3Cl2IN2O2S
Molecular Weight352.97 g/mol
Exact Mass351.83
IUPAC Name4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C5H3Cl2IN2O2S/c1-13(11,12)5-9-3(6)2(8)4(7)10-5/h1H3
InChIKeyFHNJKEXKESRKPQ-UHFFFAOYSA-N
XLogP1.79
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.97
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine 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-chloro-5-iodo-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 90368988
4-chloro-2-methylsulfonyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine
CID 142062219
4-chloro-2,6-bis(methylsulfonyl)pyrimidine-5-carboxylic acid;hydrochloride
CID 88632726
2-(4-chloro-2-methylsulfonylpyrimidin-5-yl)ethanamine
CID 83852624
4,6-dichloro-5-iodo-2-methoxypyrimidine
CID 73012684
2-chloro-3-iodo-4,5,6-trimethylpyridine
CID 131701568
4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine
CID 162033873
4-chloro-2-methylsulfonyl-5-phenylpyrimidine
CID 24903705
1-(6-chloro-2-methylsulfonylpyrimidin-4-yl)ethanone
CID 133056763
4-chloro-6-(4-methylpiperidin-1-yl)-2-methylsulfonyl-5-propan-2-ylpyrimidine
CID 87599312
6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
CID 87636483
4-chloro-6-(2,6-difluoroanilino)-2-methylsulfonylpyrimidine-5-carbaldehyde
CID 150567657

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine (CID 133080967) is 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine?
The InChIKey is FHNJKEXKESRKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2IN2O2S/c1-13(11,12)5-9-3(6)2(8)4(7)10-5/h1H3.
What are the key properties of 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine?
4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine has a molecular weight of 352.97 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-methylsulfonylpyrimidine is sourced from PubChem (CID 133080967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).