2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide

C8H8F3N3O2 — CID 90771686

IUPAC2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOC(c1nccc(C(N)=O)n1)C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-16-5(8(9,10)11)7-13-3-2-4(14-7)6(12)15/h2-3,5H,1H3,(H2,12,15)
InChIKeyGYNMKGVDVAZKBI-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.83
Rot. Bonds3

About 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide

2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 90771686) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID90771686
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOC(c1nccc(C(N)=O)n1)C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-16-5(8(9,10)11)7-13-3-2-4(14-7)6(12)15/h2-3,5H,1H3,(H2,12,15)
InChIKeyGYNMKGVDVAZKBI-UHFFFAOYSA-N
XLogP0.83
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide (CID 90771686) is 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide is COC(c1nccc(C(N)=O)n1)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is GYNMKGVDVAZKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-16-5(8(9,10)11)7-13-3-2-4(14-7)6(12)15/h2-3,5H,1H3,(H2,12,15).
What are the key properties of 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide?
2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 90771686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).