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

C18H20N8O2 — CID 122292864

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C18H20N8O2/c27-17(11-25-12-21-14(10-18(25)28)13-2-3-13)20-8-7-19-15-4-5-16(24-23-15)26-9-1-6-22-26/h1,4-6,9-10,12-13H,2-3,7-8,11H2,(H,19,23)(H,20,27)
InChIKeyMXEHWZYZHZJRQH-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.32
Rot. Bonds8

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

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122292864) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122292864
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C18H20N8O2/c27-17(11-25-12-21-14(10-18(25)28)13-2-3-13)20-8-7-19-15-4-5-16(24-23-15)26-9-1-6-22-26/h1,4-6,9-10,12-13H,2-3,7-8,11H2,(H,19,23)(H,20,27)
InChIKeyMXEHWZYZHZJRQH-UHFFFAOYSA-N
XLogP0.32
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307526
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]acetamide
CID 122246756
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293721
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321294
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292825
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325150
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292661
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122292864) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is O=C(Cn1cnc(C2CC2)cc1=O)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is MXEHWZYZHZJRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c27-17(11-25-12-21-14(10-18(25)28)13-2-3-13)20-8-7-19-15-4-5-16(24-23-15)26-9-1-6-22-26/h1,4-6,9-10,12-13H,2-3,7-8,11H2,(H,19,23)(H,20,27).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122292864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).