2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

C12H16F3N3O2 — CID 71796940

IUPAC2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCCOCC(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c1-3-20-7-11(19)16-5-4-10-17-8(2)6-9(18-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyFBXOJLPAGUJUNK-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.50
Rot. Bonds6

About 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide

2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (PubChem CID 71796940) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
PubChem CID71796940
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
SMILESCCOCC(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c1-3-20-7-11(19)16-5-4-10-17-8(2)6-9(18-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyFBXOJLPAGUJUNK-UHFFFAOYSA-N
XLogP1.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide (CID 71796940) is 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is CCOCC(=O)NCCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
The InChIKey is FBXOJLPAGUJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-3-20-7-11(19)16-5-4-10-17-8(2)6-9(18-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide?
2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 71796940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).