4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine

C8H9F3N2O — CID 142198428

IUPAC4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine
SMILESCCOc1nc(C(F)(F)F)ncc1C
InChIInChI=1S/C8H9F3N2O/c1-3-14-6-5(2)4-12-7(13-6)8(9,10)11/h4H,3H2,1-2H3
InChIKeyRWUWRJNWKIDEHI-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.20
Rot. Bonds2

About 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine

4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine (PubChem CID 142198428) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine
PubChem CID142198428
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine
SMILESCCOc1nc(C(F)(F)F)ncc1C
InChIInChI=1S/C8H9F3N2O/c1-3-14-6-5(2)4-12-7(13-6)8(9,10)11/h4H,3H2,1-2H3
InChIKeyRWUWRJNWKIDEHI-UHFFFAOYSA-N
XLogP2.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
Bis-Pro-5FU
CID 155118873
Pyrimidine, 4-isopropoxy-2-methyl-
CID 21630681
5-(Chloromethyl)-4-methoxy-2-methylpyrimidine
CID 130484813
4-Methoxy-5-methylpyrimidine
CID 13861006
2,4-Dimethoxy-5-(trifluoromethyl)pyrimidine
CID 21732778
2,4-Bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 118498160
2-Methoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282354
2-[(2-Methylpropan-2-yl)oxy]-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282357

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine (CID 142198428) is 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine is CCOc1nc(C(F)(F)F)ncc1C.
What is the InChIKey of 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is RWUWRJNWKIDEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-3-14-6-5(2)4-12-7(13-6)8(9,10)11/h4H,3H2,1-2H3.
What are the key properties of 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine?
4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 142198428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).