2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one

C18H18FN5O — CID 139027512

IUPAC2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESCc1cc(C)nc(NCCn2nc(-c3ccc(F)cc3)ccc2=O)n1
InChIInChI=1S/C18H18FN5O/c1-12-11-13(2)22-18(21-12)20-9-10-24-17(25)8-7-16(23-24)14-3-5-15(19)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyIVLLKLJAAXWLOC-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one

2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 139027512) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID139027512
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESCc1cc(C)nc(NCCn2nc(-c3ccc(F)cc3)ccc2=O)n1
InChIInChI=1S/C18H18FN5O/c1-12-11-13(2)22-18(21-12)20-9-10-24-17(25)8-7-16(23-24)14-3-5-15(19)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyIVLLKLJAAXWLOC-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051596
6-(4-fluorophenyl)-2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]ethyl]pyridazin-3-one
CID 122281789
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
CID 41241395
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 121033466
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027566
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101299
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122324623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one (CID 139027512) is 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one is Cc1cc(C)nc(NCCn2nc(-c3ccc(F)cc3)ccc2=O)n1.
What is the InChIKey of 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is IVLLKLJAAXWLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-12-11-13(2)22-18(21-12)20-9-10-24-17(25)8-7-16(23-24)14-3-5-15(19)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 339.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 139027512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).