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

C19H22N8O2 — CID 122327311

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

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122327311) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
• PubChem CID: 122327311
• Molecular Formula: C19H22N8O2
• Molecular Weight: 394.44 g/mol
• Exact Mass: 394.19
• IUPAC Name: 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
• SMILES: Cc1ccn(-c2ccc(NCCNC(=O)Cn3cnc(C4CC4)cc3=O)nn2)n1
• InChI: InChI=1S/C19H22N8O2/c1-13-6-9-27(25-13)17-5-4-16(23-24-17)20-7-8-21-18(28)11-26-12-22-15(10-19(26)29)14-2-3-14/h4-6,9-10,12,14H,2-3,7-8,11H2,1H3,(H,20,23)(H,21,28)
• InChIKey: IXPKKDOXHWFDBL-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.44
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?

The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide (CID 122327311) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide.

What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?

The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide is Cc1ccn(-c2ccc(NCCNC(=O)Cn3cnc(C4CC4)cc3=O)nn2)n1.

What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?

The InChIKey is IXPKKDOXHWFDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-13-6-9-27(25-13)17-5-4-16(23-24-17)20-7-8-21-18(28)11-26-12-22-15(10-19(26)29)14-2-3-14/h4-6,9-10,12,14H,2-3,7-8,11H2,1H3,(H,20,23)(H,21,28).

What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 0.63, 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-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122327311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).