5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide

C8H8F3N3O2 — CID 140788027

IUPAC5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCCOc1cnc(C(F)(F)F)nc1C(N)=O
InChIInChI=1S/C8H8F3N3O2/c1-2-16-4-3-13-7(8(9,10)11)14-5(4)6(12)15/h3H,2H2,1H3,(H2,12,15)
InChIKeyFDNDALPYWBTBEH-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.99
Rot. Bonds3

About 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide

5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 140788027) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID140788027
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCCOc1cnc(C(F)(F)F)nc1C(N)=O
InChIInChI=1S/C8H8F3N3O2/c1-2-16-4-3-13-7(8(9,10)11)14-5(4)6(12)15/h3H,2H2,1H3,(H2,12,15)
InChIKeyFDNDALPYWBTBEH-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 140788027) is 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide is CCOc1cnc(C(F)(F)F)nc1C(N)=O.
What is the InChIKey of 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is FDNDALPYWBTBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-2-16-4-3-13-7(8(9,10)11)14-5(4)6(12)15/h3H,2H2,1H3,(H2,12,15).
What are the key properties of 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide?
5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 140788027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).