6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid

C8H7F3N2O4 — CID 103476106

IUPAC6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(COCC(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H7F3N2O4/c9-8(10,11)3-17-2-5-12-1-4(7(15)16)6(14)13-5/h1H,2-3H2,(H,15,16)(H,12,13,14)
InChIKeyCFYSVBIJEWEOGV-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.55
Rot. Bonds4

About 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid

6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 103476106) has the molecular formula C8H7F3N2O4 and a molecular weight of 252.15 g/mol. Its IUPAC name is 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID103476106
Molecular FormulaC8H7F3N2O4
Molecular Weight252.15 g/mol
Exact Mass252.04
IUPAC Name6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(COCC(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H7F3N2O4/c9-8(10,11)3-17-2-5-12-1-4(7(15)16)6(14)13-5/h1H,2-3H2,(H,15,16)(H,12,13,14)
InChIKeyCFYSVBIJEWEOGV-UHFFFAOYSA-N
XLogP0.55
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-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 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid (CID 103476106) is 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(COCC(F)(F)F)[nH]c1=O.
What is the InChIKey of 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is CFYSVBIJEWEOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4/c9-8(10,11)3-17-2-5-12-1-4(7(15)16)6(14)13-5/h1H,2-3H2,(H,15,16)(H,12,13,14).
What are the key properties of 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 252.15 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103476106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).