5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C11H9F2N5O2 — CID 165128861

IUPAC5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CC(F)(F)C3)cnn2)c(=O)[nH]1
InChIInChI=1S/C11H9F2N5O2/c12-11(13)4-18(5-11)6-1-8(17-15-2-6)7-3-14-10(20)16-9(7)19/h1-3H,4-5H2,(H2,14,16,19,20)
InChIKeyRPMPBIHECQISLS-UHFFFAOYSA-N
MW281.22 g/mol
LogP-0.02
Rot. Bonds2

About 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128861) has the molecular formula C11H9F2N5O2 and a molecular weight of 281.22 g/mol. Its IUPAC name is 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128861
Molecular FormulaC11H9F2N5O2
Molecular Weight281.22 g/mol
Exact Mass281.07
IUPAC Name5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CC(F)(F)C3)cnn2)c(=O)[nH]1
InChIInChI=1S/C11H9F2N5O2/c12-11(13)4-18(5-11)6-1-8(17-15-2-6)7-3-14-10(20)16-9(7)19/h1-3H,4-5H2,(H2,14,16,19,20)
InChIKeyRPMPBIHECQISLS-UHFFFAOYSA-N
XLogP-0.02
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128861) is 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(N3CC(F)(F)C3)cnn2)c(=O)[nH]1.
What is the InChIKey of 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is RPMPBIHECQISLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N5O2/c12-11(13)4-18(5-11)6-1-8(17-15-2-6)7-3-14-10(20)16-9(7)19/h1-3H,4-5H2,(H2,14,16,19,20).
What are the key properties of 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 281.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).