2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide

C9H10F3N3O2 — CID 69147969

IUPAC2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
SMILESCC(COc1cc(C(F)(F)F)ncn1)C(N)=O
InChIInChI=1S/C9H10F3N3O2/c1-5(8(13)16)3-17-7-2-6(9(10,11)12)14-4-15-7/h2,4-5H,3H2,1H3,(H2,13,16)
InChIKeyIMJXLPTXIBDYRF-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.00
Rot. Bonds4

About 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide

2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide (PubChem CID 69147969) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide.

Molecular Properties

Compound Name2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
PubChem CID69147969
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
SMILESCC(COc1cc(C(F)(F)F)ncn1)C(N)=O
InChIInChI=1S/C9H10F3N3O2/c1-5(8(13)16)3-17-7-2-6(9(10,11)12)14-4-15-7/h2,4-5H,3H2,1H3,(H2,13,16)
InChIKeyIMJXLPTXIBDYRF-UHFFFAOYSA-N
XLogP1.00
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The IUPAC name of 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide (CID 69147969) is 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide.
What is the SMILES notation for 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The canonical SMILES for 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide is CC(COc1cc(C(F)(F)F)ncn1)C(N)=O.
What is the InChIKey of 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The InChIKey is IMJXLPTXIBDYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-5(8(13)16)3-17-7-2-6(9(10,11)12)14-4-15-7/h2,4-5H,3H2,1H3,(H2,13,16).
What are the key properties of 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide has a molecular weight of 249.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide is sourced from PubChem (CID 69147969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).