2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine

C19H15F3N2O3S — CID 68823026

IUPAC2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCS(=O)(=O)c1nc(OCc2ccccc2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H15F3N2O3S/c1-28(25,26)18-23-16(14-8-5-9-15(10-14)19(20,21)22)11-17(24-18)27-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyYGXHJHQZALMBEA-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.14
Rot. Bonds5

About 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine

2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 68823026) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID68823026
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCS(=O)(=O)c1nc(OCc2ccccc2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H15F3N2O3S/c1-28(25,26)18-23-16(14-8-5-9-15(10-14)19(20,21)22)11-17(24-18)27-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyYGXHJHQZALMBEA-UHFFFAOYSA-N
XLogP4.14
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine 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

2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 157282875
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 68823165
2-[[2-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 58878046
4-methyl-2-(2-phenylmethoxyethoxy)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 66901592
[2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 165437540
3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 162617775
methylsulfonyl 2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 123253301
2-methylsulfonyl-4-(3-prop-2-ynoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 134201816
1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one
CID 158368432
4-methyl-2-methylsulfonyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 18356784
dicesium;acetonitrile;bromomethylbenzene;hydride;2-methylsulfanyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine;3-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol;2-methylsulfonyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine;oxido formate
CID 161419586
2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
CID 16654692

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine (CID 68823026) is 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine is CS(=O)(=O)c1nc(OCc2ccccc2)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is YGXHJHQZALMBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-28(25,26)18-23-16(14-8-5-9-15(10-14)19(20,21)22)11-17(24-18)27-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine?
2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 408.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 68823026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).