6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide

C7H4F5N3O — CID 123304881

IUPAC6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)C(F)(F)F)ncn1
InChIInChI=1S/C7H4F5N3O/c8-6(9,7(10,11)12)4-1-3(5(13)16)14-2-15-4/h1-2H,(H2,13,16)
InChIKeyBQUHOVSMOOEYBQ-UHFFFAOYSA-N
MW241.12 g/mol
LogP1.23
Rot. Bonds2

About 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide

6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide (PubChem CID 123304881) has the molecular formula C7H4F5N3O and a molecular weight of 241.12 g/mol. Its IUPAC name is 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide
PubChem CID123304881
Molecular FormulaC7H4F5N3O
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC Name6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)C(F)(F)F)ncn1
InChIInChI=1S/C7H4F5N3O/c8-6(9,7(10,11)12)4-1-3(5(13)16)14-2-15-4/h1-2H,(H2,13,16)
InChIKeyBQUHOVSMOOEYBQ-UHFFFAOYSA-N
XLogP1.23
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-(Difluoromethyl)pyrimidine4-carbaldehyde
CID 138756293
1-(6-Methylpyrimidin-4-yl)ethanone
CID 10441757
6-(Trifluoromethyl)pyrimidine-4-carbaldehyde
CID 55262731
6-Acetyl-5-fluoropyrimidine-4-carboxamide
CID 59802591
1-[6-(Trifluoromethyl)pyrimidin-4-yl]ethanone
CID 83877335
6-(1,1,2,2,3,3,3-Heptafluoropropyl)pyrimidine-4-carboxamide
CID 87166877
2-Methyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 90880210
2,6-Bis(trifluoromethyl)pyrimidine-4-carboxamide
CID 91163579
6-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 91216586
6-(Difluoromethyl)pyrimidine-4-carboxamide
CID 91226965
2-Propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 91239403
2-Tert-butyl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 91424915

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide (CID 123304881) is 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide is NC(=O)c1cc(C(F)(F)C(F)(F)F)ncn1.
What is the InChIKey of 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is BQUHOVSMOOEYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N3O/c8-6(9,7(10,11)12)4-1-3(5(13)16)14-2-15-4/h1-2H,(H2,13,16).
What are the key properties of 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide?
6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 241.12 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,2-pentafluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 123304881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).