2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C8H8F3N3O2 — CID 10609785

IUPAC2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCN(C)c1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O2/c1-14(2)7-12-3-4(6(15)16)5(13-7)8(9,10)11/h3H,1-2H3,(H,15,16)
InChIKeyROOWCHYWMOHKMQ-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.26
Rot. Bonds2

About 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 10609785) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID10609785
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCN(C)c1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O2/c1-14(2)7-12-3-4(6(15)16)5(13-7)8(9,10)11/h3H,1-2H3,(H,15,16)
InChIKeyROOWCHYWMOHKMQ-UHFFFAOYSA-N
XLogP1.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 10609785) is 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is CN(C)c1ncc(C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is ROOWCHYWMOHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-14(2)7-12-3-4(6(15)16)5(13-7)8(9,10)11/h3H,1-2H3,(H,15,16).
What are the key properties of 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 10609785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).