2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C10H12F3N3O — CID 91424915

IUPAC2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1nc(C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-9(2,3)8-15-5(7(14)17)4-6(16-8)10(11,12)13/h4H,1-3H3,(H2,14,17)
InChIKeyGEMBQWZQQOZZLH-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.89
Rot. Bonds1

About 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 91424915) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID91424915
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(C)(C)c1nc(C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-9(2,3)8-15-5(7(14)17)4-6(16-8)10(11,12)13/h4H,1-3H3,(H2,14,17)
InChIKeyGEMBQWZQQOZZLH-UHFFFAOYSA-N
XLogP1.89
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 91424915) is 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide is CC(C)(C)c1nc(C(N)=O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is GEMBQWZQQOZZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-9(2,3)8-15-5(7(14)17)4-6(16-8)10(11,12)13/h4H,1-3H3,(H2,14,17).
What are the key properties of 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91424915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).