2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid

C10H11F3N2O3 — CID 62085762

IUPAC2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OCC(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C10H11F3N2O3/c1-5(2)8-14-3-6(7(15-8)9(16)17)18-4-10(11,12)13/h3,5H,4H2,1-2H3,(H,16,17)
InChIKeySRCXXMLSBLXICG-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.24
Rot. Bonds4

About 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid

2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid (PubChem CID 62085762) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid
PubChem CID62085762
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OCC(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C10H11F3N2O3/c1-5(2)8-14-3-6(7(15-8)9(16)17)18-4-10(11,12)13/h3,5H,4H2,1-2H3,(H,16,17)
InChIKeySRCXXMLSBLXICG-UHFFFAOYSA-N
XLogP2.24
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-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-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid (CID 62085762) is 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid is CC(C)c1ncc(OCC(F)(F)F)c(C(=O)O)n1.
What is the InChIKey of 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid?
The InChIKey is SRCXXMLSBLXICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-5(2)8-14-3-6(7(15-8)9(16)17)18-4-10(11,12)13/h3,5H,4H2,1-2H3,(H,16,17).
What are the key properties of 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid?
2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 62085762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).