1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C12H14F3N3O — CID 127244749

IUPAC1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O/c1-7-6-10(12(13,14)15)17-11(16-7)9-4-3-5-18(9)8(2)19/h6,9H,3-5H2,1-2H3
InChIKeyKMFXTMCQAXFPPQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.49
Rot. Bonds1

About 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 127244749) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID127244749
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O/c1-7-6-10(12(13,14)15)17-11(16-7)9-4-3-5-18(9)8(2)19/h6,9H,3-5H2,1-2H3
InChIKeyKMFXTMCQAXFPPQ-UHFFFAOYSA-N
XLogP2.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 127244749) is 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is KMFXTMCQAXFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-7-6-10(12(13,14)15)17-11(16-7)9-4-3-5-18(9)8(2)19/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 273.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 127244749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).