4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine

C8H9F3N4O — CID 175891014

IUPAC4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(OC2CNC2)n1
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)5-3-14-7(12)15-6(5)16-4-1-13-2-4/h3-4,13H,1-2H2,(H2,12,14,15)
InChIKeyDGPZQRKALLILKQ-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.43
Rot. Bonds2

About 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine

4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 175891014) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID175891014
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)c(OC2CNC2)n1
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)5-3-14-7(12)15-6(5)16-4-1-13-2-4/h3-4,13H,1-2H2,(H2,12,14,15)
InChIKeyDGPZQRKALLILKQ-UHFFFAOYSA-N
XLogP0.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine (CID 175891014) is 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(C(F)(F)F)c(OC2CNC2)n1.
What is the InChIKey of 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DGPZQRKALLILKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c9-8(10,11)5-3-14-7(12)15-6(5)16-4-1-13-2-4/h3-4,13H,1-2H2,(H2,12,14,15).
What are the key properties of 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 234.18 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 175891014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).