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

C9H10F3N3O2 — CID 69147971

IUPAC2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
SMILESCC(C)(Oc1cc(C(F)(F)F)ncn1)C(N)=O
InChIInChI=1S/C9H10F3N3O2/c1-8(2,7(13)16)17-6-3-5(9(10,11)12)14-4-15-6/h3-4H,1-2H3,(H2,13,16)
InChIKeyISZBCKMUNIODHR-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.14
Rot. Bonds3

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

2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide (PubChem CID 69147971) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide.

Molecular Properties

Compound Name2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
PubChem CID69147971
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
SMILESCC(C)(Oc1cc(C(F)(F)F)ncn1)C(N)=O
InChIInChI=1S/C9H10F3N3O2/c1-8(2,7(13)16)17-6-3-5(9(10,11)12)14-4-15-6/h3-4H,1-2H3,(H2,13,16)
InChIKeyISZBCKMUNIODHR-UHFFFAOYSA-N
XLogP1.14
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 21349937
Tert-butyl 3-[6-(trifluoromethyl)pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 21906065
2-Methyl-2-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoic acid
CID 22270642
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxybutanal
CID 59527210
2-Methyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide
CID 69147969
4-(4-Butoxybutoxy)-6-(trifluoromethyl)pyrimidine
CID 70839585
4-(2,2-Difluoroethoxy)-6-methylpyrimidine
CID 89583661
4-Ethoxy-6-(trifluoromethyl)pyrimidine
CID 91514145
4-Propan-2-yloxy-6-(trifluoromethyl)pyrimidine
CID 91532673
4-(2,2,3,4,4,4-Hexafluorobutoxy)-6-methylpyrimidine
CID 138628082
Ethane;4-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 143883331
Ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
CID 156739083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The IUPAC name of 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide (CID 69147971) is 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide.
What is the SMILES notation for 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The canonical SMILES for 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide is CC(C)(Oc1cc(C(F)(F)F)ncn1)C(N)=O.
What is the InChIKey of 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
The InChIKey is ISZBCKMUNIODHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-8(2,7(13)16)17-6-3-5(9(10,11)12)14-4-15-6/h3-4H,1-2H3,(H2,13,16).
What are the key properties of 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide?
2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide has a molecular weight of 249.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-(trifluoromethyl)pyrimidin-4-yl]oxypropanamide is sourced from PubChem (CID 69147971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).