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

C13H9F2N5O2 — CID 163394455

IUPAC5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(C3CC3(F)F)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H9F2N5O2/c14-13(15)4-8(13)6-3-9(19-20-2-1-16-10(6)20)7-5-17-12(22)18-11(7)21/h1-3,5,8H,4H2,(H2,17,18,21,22)
InChIKeyXBARISGZOIYHCZ-UHFFFAOYSA-N
MW305.24 g/mol
LogP0.90
Rot. Bonds2

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

5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163394455) has the molecular formula C13H9F2N5O2 and a molecular weight of 305.24 g/mol. Its IUPAC name is 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID163394455
Molecular FormulaC13H9F2N5O2
Molecular Weight305.24 g/mol
Exact Mass305.07
IUPAC Name5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(C3CC3(F)F)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C13H9F2N5O2/c14-13(15)4-8(13)6-3-9(19-20-2-1-16-10(6)20)7-5-17-12(22)18-11(7)21/h1-3,5,8H,4H2,(H2,17,18,21,22)
InChIKeyXBARISGZOIYHCZ-UHFFFAOYSA-N
XLogP0.90
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 163394455) is 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(C3CC3(F)F)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XBARISGZOIYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O2/c14-13(15)4-8(13)6-3-9(19-20-2-1-16-10(6)20)7-5-17-12(22)18-11(7)21/h1-3,5,8H,4H2,(H2,17,18,21,22).
What are the key properties of 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 305.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163394455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).