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

C9H9F3N2O2 — CID 62744188

IUPAC4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(CC(F)(F)F)nc(C)c1C(=O)O
InChIInChI=1S/C9H9F3N2O2/c1-4-7(8(15)16)5(2)14-6(13-4)3-9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyFGBIAARLWQBVGI-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.90
Rot. Bonds2

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

4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid (PubChem CID 62744188) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
PubChem CID62744188
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(CC(F)(F)F)nc(C)c1C(=O)O
InChIInChI=1S/C9H9F3N2O2/c1-4-7(8(15)16)5(2)14-6(13-4)3-9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyFGBIAARLWQBVGI-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid (CID 62744188) is 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid is Cc1nc(CC(F)(F)F)nc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid?
The InChIKey is FGBIAARLWQBVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-4-7(8(15)16)5(2)14-6(13-4)3-9(10,11)12/h3H2,1-2H3,(H,15,16).
What are the key properties of 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid?
4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62744188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).