1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione

C16H15F3N4O4 — CID 122251253

About 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione

1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione (PubChem CID 122251253) has the molecular formula C16H15F3N4O4 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione
• PubChem CID: 122251253
• Molecular Formula: C16H15F3N4O4
• Molecular Weight: 384.31 g/mol
• Exact Mass: 384.10
• IUPAC Name: 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione
• SMILES: O=C(CCn1ccc(=O)[nH]c1=O)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
• InChI: InChI=1S/C16H15F3N4O4/c17-16(18,19)10-1-4-20-13(7-10)27-11-8-23(9-11)14(25)3-6-22-5-2-12(24)21-15(22)26/h1-2,4-5,7,11H,3,6,8-9H2,(H,21,24,26)
• InChIKey: UFXNVBSSWDYUSL-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.31
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione (CID 122251253) is 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CC(Oc2cc(C(F)(F)F)ccn2)C1.

What is the InChIKey of 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione?

The InChIKey is UFXNVBSSWDYUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O4/c17-16(18,19)10-1-4-20-13(7-10)27-11-8-23(9-11)14(25)3-6-22-5-2-12(24)21-15(22)26/h1-2,4-5,7,11H,3,6,8-9H2,(H,21,24,26).

What are the key properties of 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione?

1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione has a molecular weight of 384.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 122251253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).