2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane

C12H15F3N2OSi — CID 22639913

IUPAC2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane
SMILESCOc1nc(C)nc(C(F)(F)F)c1C#C[Si](C)(C)C
InChIInChI=1S/C12H15F3N2OSi/c1-8-16-10(12(13,14)15)9(11(17-8)18-2)6-7-19(3,4)5/h1-5H3
InChIKeyBFWYCAPSNIDEBQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.04
Rot. Bonds1

About 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane

2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane (PubChem CID 22639913) has the molecular formula C12H15F3N2OSi and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane
PubChem CID22639913
Molecular FormulaC12H15F3N2OSi
Molecular Weight288.35 g/mol
Exact Mass288.09
IUPAC Name2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane
SMILESCOc1nc(C)nc(C(F)(F)F)c1C#C[Si](C)(C)C
InChIInChI=1S/C12H15F3N2OSi/c1-8-16-10(12(13,14)15)9(11(17-8)18-2)6-7-19(3,4)5/h1-5H3
InChIKeyBFWYCAPSNIDEBQ-UHFFFAOYSA-N
XLogP3.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane 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-Ethoxy-2,5,6-trimethylpyrimidine
CID 11062766
2,4-Dimethoxy-5,6-dimethylpyrimidine
CID 11378723
5-Iodo-4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 12151205
5-Ethynyl-4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 12151206
5-Fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine
CID 58252320
[4-(Difluoromethoxy)-6-methylpyrimidin-2-yl]-trimethylsilane
CID 70408949
5-Fluoro-4-methoxy-2-propa-1,2-dienyl-6-(trifluoromethyl)pyrimidine
CID 88234201
5-Fluoro-4-methoxy-2,6-dimethylpyrimidine
CID 89945900
4-Methoxy-2-propyl-6-(trifluoromethyl)pyrimidine
CID 91224305
4-Methoxy-6-methyl-5-(trifluoromethyl)pyrimidine
CID 123184175
Ethane;4-methoxy-6-methyl-5-(trifluoromethyl)pyrimidine
CID 143819322
2-Tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine
CID 147263072

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane (CID 22639913) is 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane is COc1nc(C)nc(C(F)(F)F)c1C#C[Si](C)(C)C.
What is the InChIKey of 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane?
The InChIKey is BFWYCAPSNIDEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OSi/c1-8-16-10(12(13,14)15)9(11(17-8)18-2)6-7-19(3,4)5/h1-5H3.
What are the key properties of 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane?
2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane has a molecular weight of 288.35 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 22639913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).