2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

C7H6F3N3O — CID 69129378

IUPAC2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(CC(F)(F)F)nc1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)1-5-12-2-4(3-13-5)6(11)14/h2-3H,1H2,(H2,11,14)
InChIKeyUSJRSPIGTOLCQY-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.68
Rot. Bonds2

About 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (PubChem CID 69129378) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
PubChem CID69129378
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(CC(F)(F)F)nc1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)1-5-12-2-4(3-13-5)6(11)14/h2-3H,1H2,(H2,11,14)
InChIKeyUSJRSPIGTOLCQY-UHFFFAOYSA-N
XLogP0.68
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide 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-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (CID 69129378) is 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is NC(=O)c1cnc(CC(F)(F)F)nc1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is USJRSPIGTOLCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)1-5-12-2-4(3-13-5)6(11)14/h2-3H,1H2,(H2,11,14).
What are the key properties of 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 205.14 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 69129378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).