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

C12H14F3N3O — CID 124973760

IUPAC1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1nc(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/t9-/m1/s1
InChIKeyKMFXTMCQAXFPPQ-SECBINFHSA-N
MW273.26 g/mol
LogP2.49
Rot. Bonds1

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

1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124973760) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID124973760
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1nc(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/t9-/m1/s1
InChIKeyKMFXTMCQAXFPPQ-SECBINFHSA-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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Related Compounds

1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127244749
2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 124968809
4-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)-6-(trifluoromethyl)pyrimidine
CID 110259453
1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid
CID 95825399
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
CID 26872050
5-[2-(1-acetylpiperidin-2-yl)-6-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133765
1-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95843343
1-[2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 73439316
3-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]-N-(2-amino-2-oxoethyl)propanamide
CID 124975785
1-[(2S)-2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125010972
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 124973760) is 1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is KMFXTMCQAXFPPQ-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-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-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124973760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).