2,4-dichloro-6-methylsulfonylpyrimidine

C5H4Cl2N2O2S — CID 77174813

IUPAC2,4-dichloro-6-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N2O2S/c1-12(10,11)4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKeyNYLCOCPEKIQCAJ-UHFFFAOYSA-N
MW227.07 g/mol
LogP1.19
Rot. Bonds1

About 2,4-dichloro-6-methylsulfonylpyrimidine

2,4-dichloro-6-methylsulfonylpyrimidine (PubChem CID 77174813) has the molecular formula C5H4Cl2N2O2S and a molecular weight of 227.07 g/mol. Its IUPAC name is 2,4-dichloro-6-methylsulfonylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-methylsulfonylpyrimidine
PubChem CID77174813
Molecular FormulaC5H4Cl2N2O2S
Molecular Weight227.07 g/mol
Exact Mass225.94
IUPAC Name2,4-dichloro-6-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N2O2S/c1-12(10,11)4-2-3(6)8-5(7)9-4/h2H,1H3
InChIKeyNYLCOCPEKIQCAJ-UHFFFAOYSA-N
XLogP1.19
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-6-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

4,6-Dichloro-2-(methylsulfonyl)pyrimidine
CID 239685
2,4-Dichloro-6-(methylsulfanyl)pyrimidine
CID 19693883
4-Chloro-6-methanesulfonylpyrimidine
CID 254751
4-Chloro-6-(methylsulfanyl)pyrimidine
CID 21813077
4-Chloro-2,6-bis(methylsulfanyl)pyrimidine
CID 25105360
4-Chloro-2-methyl-6-(methylthio)pyrimidine
CID 56924430
4,6-Dichloro-2-(methanesulfonylmethyl)pyrimidine
CID 58137114
4,6-Dichloro-2-(propylsulfanyl)pyrimidine
CID 78358301
4-Chloro-6-ethylsulfanylpyrimidin-2-amine
CID 237627
4-Chloro-6-(propylsulfanyl)pyrimidin-2-amine
CID 237629
4-Chloro-6-methylsulfanylpyrimidin-2-amine
CID 237626
2,4-Dichloro-5-fluoro-6-methylsulfonylpyrimidine
CID 88684757

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methylsulfonylpyrimidine?
The IUPAC name of 2,4-dichloro-6-methylsulfonylpyrimidine (CID 77174813) is 2,4-dichloro-6-methylsulfonylpyrimidine.
What is the SMILES notation for 2,4-dichloro-6-methylsulfonylpyrimidine?
The canonical SMILES for 2,4-dichloro-6-methylsulfonylpyrimidine is CS(=O)(=O)c1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-methylsulfonylpyrimidine?
The InChIKey is NYLCOCPEKIQCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O2S/c1-12(10,11)4-2-3(6)8-5(7)9-4/h2H,1H3.
What are the key properties of 2,4-dichloro-6-methylsulfonylpyrimidine?
2,4-dichloro-6-methylsulfonylpyrimidine has a molecular weight of 227.07 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methylsulfonylpyrimidine is sourced from PubChem (CID 77174813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).