2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide

C7H3F6N3O — CID 91163579

IUPAC2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C7H3F6N3O/c8-6(9,10)3-1-2(4(14)17)15-5(16-3)7(11,12)13/h1H,(H2,14,17)
InChIKeyZBGXEAWGWBTNDC-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.61
Rot. Bonds1

About 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide

2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 91163579) has the molecular formula C7H3F6N3O and a molecular weight of 259.11 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID91163579
Molecular FormulaC7H3F6N3O
Molecular Weight259.11 g/mol
Exact Mass259.02
IUPAC Name2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C7H3F6N3O/c8-6(9,10)3-1-2(4(14)17)15-5(16-3)7(11,12)13/h1H,(H2,14,17)
InChIKeyZBGXEAWGWBTNDC-UHFFFAOYSA-N
XLogP1.61
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloropyrimidine-4,6-dicarboxamide
CID 250943
2-chloro-N,6-dimethylpyrimidine-4-carboxamide
CID 88855458
6-methyl-N-(2-sulfanylethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 177679594
6-(Difluoromethyl)-2-methylpyrimidine-4-carbaldehyde
CID 138991399
2-Chloro-6-methyl-pyrimidine-4-carboxylic acid amide
CID 12355083
N-(1,1-diethylpropyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131927139
6-methyl-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 136533250
2,6-Difluoropyrimidine-4-carboxamide
CID 21434376
[6-(Methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone
CID 67615605
[6-(Ethylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone
CID 67619208
[6-(Aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone
CID 67628821
6-(1,1,2,2,3,3,3-Heptafluoropropyl)pyrimidine-4-carboxamide
CID 87166877

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide (CID 91163579) is 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide is NC(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is ZBGXEAWGWBTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6N3O/c8-6(9,10)3-1-2(4(14)17)15-5(16-3)7(11,12)13/h1H,(H2,14,17).
What are the key properties of 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide?
2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 259.11 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91163579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).