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

C13H13F2N5O2 — CID 165128822

IUPAC5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CCC(F)(F)CC3)cnn2)c(=O)[nH]1
InChIInChI=1S/C13H13F2N5O2/c14-13(15)1-3-20(4-2-13)8-5-10(19-17-6-8)9-7-16-12(22)18-11(9)21/h5-7H,1-4H2,(H2,16,18,21,22)
InChIKeyYQRNVNPGLOWRCX-UHFFFAOYSA-N
MW309.28 g/mol
LogP0.76
Rot. Bonds2

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

5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128822) has the molecular formula C13H13F2N5O2 and a molecular weight of 309.28 g/mol. Its IUPAC name is 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128822
Molecular FormulaC13H13F2N5O2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CCC(F)(F)CC3)cnn2)c(=O)[nH]1
InChIInChI=1S/C13H13F2N5O2/c14-13(15)1-3-20(4-2-13)8-5-10(19-17-6-8)9-7-16-12(22)18-11(9)21/h5-7H,1-4H2,(H2,16,18,21,22)
InChIKeyYQRNVNPGLOWRCX-UHFFFAOYSA-N
XLogP0.76
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128822) is 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(N3CCC(F)(F)CC3)cnn2)c(=O)[nH]1.
What is the InChIKey of 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is YQRNVNPGLOWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2/c14-13(15)1-3-20(4-2-13)8-5-10(19-17-6-8)9-7-16-12(22)18-11(9)21/h5-7H,1-4H2,(H2,16,18,21,22).
What are the key properties of 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 309.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).