1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol

C9H10F3N3O — CID 141341986

IUPAC1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccnc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)8-13-2-1-6(14-8)3-15-4-7(16)5-15/h1-2,7,16H,3-5H2
InChIKeyWOAJSVVFZBRPJT-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.67
Rot. Bonds2

About 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol

1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol (PubChem CID 141341986) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol
PubChem CID141341986
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccnc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)8-13-2-1-6(14-8)3-15-4-7(16)5-15/h1-2,7,16H,3-5H2
InChIKeyWOAJSVVFZBRPJT-UHFFFAOYSA-N
XLogP0.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol (CID 141341986) is 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol is OC1CN(Cc2ccnc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol?
The InChIKey is WOAJSVVFZBRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)8-13-2-1-6(14-8)3-15-4-7(16)5-15/h1-2,7,16H,3-5H2.
What are the key properties of 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol?
1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol has a molecular weight of 233.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 141341986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).