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

C15H19F2N5O2 — CID 165128821

IUPAC5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane
SMILESCC.O=c1[nH]cc(-c2cc(N3CCC(F)(F)CC3)cnn2)c(=O)[nH]1
InChIInChI=1S/C13H13F2N5O2.C2H6/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;1-2/h5-7H,1-4H2,(H2,16,18,21,22);1-2H3
InChIKeyBNTXPGAJEKLEQA-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.78
Rot. Bonds2

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

5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane (PubChem CID 165128821) has the molecular formula C15H19F2N5O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane.

Molecular Properties

Compound Name5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane
PubChem CID165128821
Molecular FormulaC15H19F2N5O2
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Name5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane
SMILESCC.O=c1[nH]cc(-c2cc(N3CCC(F)(F)CC3)cnn2)c(=O)[nH]1
InChIInChI=1S/C13H13F2N5O2.C2H6/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;1-2/h5-7H,1-4H2,(H2,16,18,21,22);1-2H3
InChIKeyBNTXPGAJEKLEQA-UHFFFAOYSA-N
XLogP1.78
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane?
The IUPAC name of 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane (CID 165128821) is 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane.
What is the SMILES notation for 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane?
The canonical SMILES for 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane is CC.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;ethane?
The InChIKey is BNTXPGAJEKLEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2.C2H6/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;1-2/h5-7H,1-4H2,(H2,16,18,21,22);1-2H3.
What are the key properties of 5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane?
5-[5-(4,4-difluoropiperidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;ethane has a molecular weight of 339.35 g/mol, XLogP of 1.78, 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;ethane is sourced from PubChem (CID 165128821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).