4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide

C8H8F3N3O — CID 91228599

IUPAC4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1nc(C(F)(F)F)nc(C)c1C(N)=O
InChIInChI=1S/C8H8F3N3O/c1-3-5(6(12)15)4(2)14-7(13-3)8(9,10)11/h1-2H3,(H2,12,15)
InChIKeyHVHBPYKOBNSNJS-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.21
Rot. Bonds1

About 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide

4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 91228599) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID91228599
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1nc(C(F)(F)F)nc(C)c1C(N)=O
InChIInChI=1S/C8H8F3N3O/c1-3-5(6(12)15)4(2)14-7(13-3)8(9,10)11/h1-2H3,(H2,12,15)
InChIKeyHVHBPYKOBNSNJS-UHFFFAOYSA-N
XLogP1.21
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-2-(trifluoromethyl)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 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 91228599) is 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide is Cc1nc(C(F)(F)F)nc(C)c1C(N)=O.
What is the InChIKey of 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is HVHBPYKOBNSNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-3-5(6(12)15)4(2)14-7(13-3)8(9,10)11/h1-2H3,(H2,12,15).
What are the key properties of 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 219.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91228599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).