4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine

C6H6F3N3O2S — CID 83919458

IUPAC4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C6H6F3N3O2S/c1-15(13,14)4-2-3(6(7,8)9)11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyASMBHCPNQHYHAV-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.48
Rot. Bonds1

About 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine

4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 83919458) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID83919458
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C6H6F3N3O2S/c1-15(13,14)4-2-3(6(7,8)9)11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyASMBHCPNQHYHAV-UHFFFAOYSA-N
XLogP0.48
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine 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-(Butylsulfanyl)-6-methylpyrimidin-2-amine
CID 237930
4-(Methylthio)-6-(trifluoromethyl)pyrimidin-2-amine
CID 83916672
4-Methyl-6-(methylsulfanyl)pyrimidin-2-amine
CID 237638
4-(Ethylsulfanyl)-6-methylpyrimidin-2-amine
CID 237639
2,4-Bis(difluoromethylsulfanyl)-6-methylpyrimidine
CID 12276599
4-Methyl-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfonyl]-6-(trifluoromethyl)pyrimidine
CID 172879236
2-(1,1-Difluoroethylsulfonyl)-4,6-dimethylpyrimidine
CID 177850004
2-(1,1-Difluoropropylsulfonyl)-4,6-dimethylpyrimidine
CID 177850008
2-Chloro-4-methyl-6-(methylsulfanyl)pyrimidine
CID 21030351
2-Methyl-4-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 18711427
2-Amino-4-fluoromethyl-6-methylthiopyrimidine
CID 20153491
4-methyl-6-methylsulfonyl-2-[4-(trifluoromethyl)-2H-imidazol-2-yl]pyrimidine
CID 58660059

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 83919458) is 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine is CS(=O)(=O)c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ASMBHCPNQHYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c1-15(13,14)4-2-3(6(7,8)9)11-5(10)12-4/h2H,1H3,(H2,10,11,12).
What are the key properties of 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 241.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 83919458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).