2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C17H19N7O2 — CID 122307526

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCCNc2ccc(-n3cccc3)nn2)cn1
InChIInChI=1S/C17H19N7O2/c1-13-10-17(26)24(12-20-13)11-16(25)19-7-6-18-14-4-5-15(22-21-14)23-8-2-3-9-23/h2-5,8-10,12H,6-7,11H2,1H3,(H,18,21)(H,19,25)
InChIKeyVJHFGGWYYKGXDG-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.36
Rot. Bonds7

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122307526) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122307526
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCCNc2ccc(-n3cccc3)nn2)cn1
InChIInChI=1S/C17H19N7O2/c1-13-10-17(26)24(12-20-13)11-16(25)19-7-6-18-14-4-5-15(22-21-14)23-8-2-3-9-23/h2-5,8-10,12H,6-7,11H2,1H3,(H,18,21)(H,19,25)
InChIKeyVJHFGGWYYKGXDG-UHFFFAOYSA-N
XLogP0.36
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327311
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292864
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122291212
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314809
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122293156
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122294234
2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307372
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119335
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
1-(3-chloro-4-methylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307308

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122307526) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is Cc1cc(=O)n(CC(=O)NCCNc2ccc(-n3cccc3)nn2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is VJHFGGWYYKGXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-13-10-17(26)24(12-20-13)11-16(25)19-7-6-18-14-4-5-15(22-21-14)23-8-2-3-9-23/h2-5,8-10,12H,6-7,11H2,1H3,(H,18,21)(H,19,25).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 353.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122307526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).