2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine

C6H5F3N2OS — CID 154703941

IUPAC2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine
SMILESCOc1ncc(SC(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2OS/c1-12-5-10-2-4(3-11-5)13-6(7,8)9/h2-3H,1H3
InChIKeyKPAIXXMNDMHYLA-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.10
Rot. Bonds2

About 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine

2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine (PubChem CID 154703941) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine
PubChem CID154703941
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC Name2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine
SMILESCOc1ncc(SC(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2OS/c1-12-5-10-2-4(3-11-5)13-6(7,8)9/h2-3H,1H3
InChIKeyKPAIXXMNDMHYLA-UHFFFAOYSA-N
XLogP2.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-(trifluoromethylsulfanyl)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-Chloro-5-(methylthio)pyrimidine
CID 21979532
2-Methoxypyrimidine-5-sulfonyl chloride
CID 84025904
2,4-Dichloro-5-trifluoromethylsulphanyl-pyrimidine
CID 21794043
5-(Methanesulfonyl)pyrimidine
CID 13546183
5-(Methylsulfinyl)pyrimidine
CID 45080472
5-Fluoro-2-methoxypyrimidine
CID 140189
(2-Chloropyrimidin-5-yl)(imino)methyl-lambda6-sulfanone
CID 165693838
2,4-Difluoro-5-(trifluoromethylsulfanyl)pyrimidine
CID 21794046
5-Pyrimidinethiol
CID 4713215
5-(Methylsulfanyl)pyrimidin-2-amine
CID 45080487
2-Fluoro-5-methylsulfonylpyrimidine
CID 17804386
5-Ethylsulfonyl-2,4-difluoropyrimidine
CID 18981183

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine?
The IUPAC name of 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine (CID 154703941) is 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine is COc1ncc(SC(F)(F)F)cn1.
What is the InChIKey of 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine?
The InChIKey is KPAIXXMNDMHYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c1-12-5-10-2-4(3-11-5)13-6(7,8)9/h2-3H,1H3.
What are the key properties of 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine?
2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine has a molecular weight of 210.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(trifluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 154703941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).