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5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C15H14F2N6O2 — CID 157035179

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C(F)F)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)C1
InChIInChI=1S/C15H14F2N6O2/c1-15(13(16)17)6-22(7-15)10-4-9(21-23-3-2-18-11(10)23)8-5-19-14(25)20-12(8)24/h2-5,13H,6-7H2,1H3,(H2,19,20,24,25)
InChIKeyRVYAPNBUSJYRPJ-UHFFFAOYSA-N
MW348.31 g/mol
LogP0.86
Rot. Bonds3

About 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157035179) has the molecular formula C15H14F2N6O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157035179
Molecular FormulaC15H14F2N6O2
Molecular Weight348.31 g/mol
Exact Mass348.11
IUPAC Name5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C(F)F)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)C1
InChIInChI=1S/C15H14F2N6O2/c1-15(13(16)17)6-22(7-15)10-4-9(21-23-3-2-18-11(10)23)8-5-19-14(25)20-12(8)24/h2-5,13H,6-7H2,1H3,(H2,19,20,24,25)
InChIKeyRVYAPNBUSJYRPJ-UHFFFAOYSA-N
XLogP0.86
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157035179) is 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is CC1(C(F)F)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)C1.
What is the InChIKey of 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is RVYAPNBUSJYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2/c1-15(13(16)17)6-22(7-15)10-4-9(21-23-3-2-18-11(10)23)8-5-19-14(25)20-12(8)24/h2-5,13H,6-7H2,1H3,(H2,19,20,24,25).
What are the key properties of 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 348.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157035179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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