4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

C8H7F3N2O2 — CID 53404083

IUPAC4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C(F)(F)F)nc(C)c1C(=O)O
InChIInChI=1S/C8H7F3N2O2/c1-3-5(6(14)15)4(2)13-7(12-3)8(9,10)11/h1-2H3,(H,14,15)
InChIKeyVYPLQBIHGYKXRS-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.81
Rot. Bonds1

About 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 53404083) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID53404083
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C(F)(F)F)nc(C)c1C(=O)O
InChIInChI=1S/C8H7F3N2O2/c1-3-5(6(14)15)4(2)13-7(12-3)8(9,10)11/h1-2H3,(H,14,15)
InChIKeyVYPLQBIHGYKXRS-UHFFFAOYSA-N
XLogP1.81
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 53404083) is 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is Cc1nc(C(F)(F)F)nc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is VYPLQBIHGYKXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-3-5(6(14)15)4(2)13-7(12-3)8(9,10)11/h1-2H3,(H,14,15).
What are the key properties of 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 220.15 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53404083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).