6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

C9H9F3N2O2 — CID 83824189

IUPAC6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCCc1nc(C(F)(F)F)nc(C(=O)O)c1C
InChIInChI=1S/C9H9F3N2O2/c1-3-5-4(2)6(7(15)16)14-8(13-5)9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyCLGFQGFQWUVCIW-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.06
Rot. Bonds2

About 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 83824189) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID83824189
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCCc1nc(C(F)(F)F)nc(C(=O)O)c1C
InChIInChI=1S/C9H9F3N2O2/c1-3-5-4(2)6(7(15)16)14-8(13-5)9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyCLGFQGFQWUVCIW-UHFFFAOYSA-N
XLogP2.06
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 83824189) is 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is CCc1nc(C(F)(F)F)nc(C(=O)O)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is CLGFQGFQWUVCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-3-5-4(2)6(7(15)16)14-8(13-5)9(10,11)12/h3H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83824189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).