1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione

C18H17BrN8O2 — CID 165134086

About 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione

1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165134086) has the molecular formula C18H17BrN8O2 and a molecular weight of 457.29 g/mol. Its IUPAC name is 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione
• PubChem CID: 165134086
• Molecular Formula: C18H17BrN8O2
• Molecular Weight: 457.29 g/mol
• Exact Mass: 456.07
• IUPAC Name: 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione
• SMILES: CN1C(=O)CN(c2cc(C3CC3)nn3cc(CNc4cc(Br)ncn4)nc23)C1=O
• InChI: InChI=1S/C18H17BrN8O2/c1-25-16(28)8-26(18(25)29)13-4-12(10-2-3-10)24-27-7-11(23-17(13)27)6-20-15-5-14(19)21-9-22-15/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,20,21,22)
• InChIKey: IIDCSROBSOCEPD-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 108.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.29
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione?

The IUPAC name of 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165134086) is 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione?

The canonical SMILES for 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(c2cc(C3CC3)nn3cc(CNc4cc(Br)ncn4)nc23)C1=O.

What is the InChIKey of 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione?

The InChIKey is IIDCSROBSOCEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN8O2/c1-25-16(28)8-26(18(25)29)13-4-12(10-2-3-10)24-27-7-11(23-17(13)27)6-20-15-5-14(19)21-9-22-15/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,20,21,22).

What are the key properties of 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione?

1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 457.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[(6-bromopyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-b]pyridazin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165134086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).