2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine

C9H10F3N3 — CID 175789284

IUPAC2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCC1CCN1c1nccc(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
InChIKeyUWXZPGKVCIJLNY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.09
Rot. Bonds1

About 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine

2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 175789284) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID175789284
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCC1CCN1c1nccc(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
InChIKeyUWXZPGKVCIJLNY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine (CID 175789284) is 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine is CC1CCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is UWXZPGKVCIJLNY-UHFFFAOYSA-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.
What are the key properties of 2-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(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-(2-methylazetidin-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 175789284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).