4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine

C20H21ClN10 — CID 66551111

About 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine

4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine (PubChem CID 66551111) has the molecular formula C20H21ClN10 and a molecular weight of 436.91 g/mol. Its IUPAC name is 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
• PubChem CID: 66551111
• Molecular Formula: C20H21ClN10
• Molecular Weight: 436.91 g/mol
• Exact Mass: 436.16
• IUPAC Name: 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
• SMILES: NC1CCC(Nc2ccc3ncc(-c4cnc(Nc5nccnc5Cl)nc4)n3n2)CC1
• InChI: InChI=1S/C20H21ClN10/c21-18-19(24-8-7-23-18)29-20-26-9-12(10-27-20)15-11-25-17-6-5-16(30-31(15)17)28-14-3-1-13(22)2-4-14/h5-11,13-14H,1-4,22H2,(H,28,30)(H,24,26,27,29)
• InChIKey: DHBMASQEHSFVOP-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 131.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.91
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?

The IUPAC name of 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine (CID 66551111) is 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine.

What is the SMILES notation for 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?

The canonical SMILES for 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2ccc3ncc(-c4cnc(Nc5nccnc5Cl)nc4)n3n2)CC1.

What is the InChIKey of 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?

The InChIKey is DHBMASQEHSFVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN10/c21-18-19(24-8-7-23-18)29-20-26-9-12(10-27-20)15-11-25-17-6-5-16(30-31(15)17)28-14-3-1-13(22)2-4-14/h5-11,13-14H,1-4,22H2,(H,28,30)(H,24,26,27,29).

What are the key properties of 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?

4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine has a molecular weight of 436.91 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[3-[2-[(3-chloropyrazin-2-yl)amino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 66551111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).