4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine

C12H15F3N4 — CID 175906073

IUPAC4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCC1CCN1c1nc(N2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N4/c1-8-3-6-19(8)11-16-9(12(13,14)15)7-10(17-11)18-4-2-5-18/h7-8H,2-6H2,1H3
InChIKeyDJQHUMUHLBHERU-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.30
Rot. Bonds2

About 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine

4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 175906073) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID175906073
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCC1CCN1c1nc(N2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N4/c1-8-3-6-19(8)11-16-9(12(13,14)15)7-10(17-11)18-4-2-5-18/h7-8H,2-6H2,1H3
InChIKeyDJQHUMUHLBHERU-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 175906073) is 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine is CC1CCN1c1nc(N2CCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is DJQHUMUHLBHERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-8-3-6-19(8)11-16-9(12(13,14)15)7-10(17-11)18-4-2-5-18/h7-8H,2-6H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 272.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 175906073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).