4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine

C7H7F3N2O3S — CID 14280157

IUPAC4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H7F3N2O3S/c1-15-5-3-4(7(8,9)10)11-6(12-5)16(2,13)14/h3H,1-2H3
InChIKeyHNHKGSCTVFJGMW-UHFFFAOYSA-N
MW256.20 g/mol
LogP0.91
Rot. Bonds2

About 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine

4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (PubChem CID 14280157) has the molecular formula C7H7F3N2O3S and a molecular weight of 256.20 g/mol. Its IUPAC name is 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
PubChem CID14280157
Molecular FormulaC7H7F3N2O3S
Molecular Weight256.20 g/mol
Exact Mass256.01
IUPAC Name4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H7F3N2O3S/c1-15-5-3-4(7(8,9)10)11-6(12-5)16(2,13)14/h3H,1-2H3
InChIKeyHNHKGSCTVFJGMW-UHFFFAOYSA-N
XLogP0.91
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)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

2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248064
4-(Difluoromethoxy)-6-methylpyrimidin-2-amine
CID 2817390
2-Chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 19100561
6-Methyl-2-methylthio-4-cyanomethoxypyrimidine
CID 658712
2-Methylthio-4-difluoromethoxy-6-methylpyrimidine
CID 694382
4-Methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 606193
1,1,1-Trifluoromethanesulfonic acid 6-methyl-2-methylsulfanyl-pyrimidin-4-yl ester
CID 10880718
4-Ethoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 14280158
(2,6-Dimethylpyrimidin-4-yl) trifluoromethanesulfonate
CID 15658300
2,4-Dimethoxy-6-(trifluoromethyl)pyrimidine
CID 21732779
2-(Ethylsulfanyl)-4-(difluromethoxy)-6-methyl-pyrimidine
CID 129769896

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (CID 14280157) is 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is COc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is HNHKGSCTVFJGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3S/c1-15-5-3-4(7(8,9)10)11-6(12-5)16(2,13)14/h3H,1-2H3.
What are the key properties of 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 256.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 14280157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).