2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine

C9H10F3N3 — CID 166068939

IUPAC2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESC[C@H]1CCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3/c1-6-3-5-15(6)8-13-4-2-7(14-8)9(10,11)12/h2,4,6H,3,5H2,1H3/t6-/m0/s1
InChIKeyUWXZPGKVCIJLNY-LURJTMIESA-N
MW217.19 g/mol
LogP2.09
Rot. Bonds1

About 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 166068939) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID166068939
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESC[C@H]1CCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3/c1-6-3-5-15(6)8-13-4-2-7(14-8)9(10,11)12/h2,4,6H,3,5H2,1H3/t6-/m0/s1
InChIKeyUWXZPGKVCIJLNY-LURJTMIESA-N
XLogP2.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95569651
(3S)-3-methylsulfanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 124590786
2-[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
CID 75369788
2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
CID 97186315
5-methyl-3-[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 97074164
3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 64585862
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133271291
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
CID 48736158
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
1-[(2R)-2-[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315380
N-[[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]methanesulfonamide
CID 94063930

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 166068939) is 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine is C[C@H]1CCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is UWXZPGKVCIJLNY-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F3N3/c1-6-3-5-15(6)8-13-4-2-7(14-8)9(10,11)12/h2,4,6H,3,5H2,1H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 166068939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).