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

C6H4F3N3O2 — CID 3754696

IUPAC2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESNc1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)3-2(4(13)14)1-11-5(10)12-3/h1H,(H,13,14)(H2,10,11,12)
InChIKeyMBDZXCJGXZAHMC-UHFFFAOYSA-N
MW207.11 g/mol
LogP0.78
Rot. Bonds1

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

2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 3754696) has the molecular formula C6H4F3N3O2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID3754696
Molecular FormulaC6H4F3N3O2
Molecular Weight207.11 g/mol
Exact Mass207.03
IUPAC Name2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESNc1ncc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)3-2(4(13)14)1-11-5(10)12-3/h1H,(H,13,14)(H2,10,11,12)
InChIKeyMBDZXCJGXZAHMC-UHFFFAOYSA-N
XLogP0.78
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-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-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 3754696) is 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is Nc1ncc(C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is MBDZXCJGXZAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O2/c7-6(8,9)3-2(4(13)14)1-11-5(10)12-3/h1H,(H,13,14)(H2,10,11,12).
What are the key properties of 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid?
2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 3754696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).