5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine

C22H26BrN7O2 — CID 165113640

About 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine

5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine (PubChem CID 165113640) has the molecular formula C22H26BrN7O2 and a molecular weight of 500.40 g/mol. Its IUPAC name is 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine.

Molecular Properties

• Compound Name: 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine
• PubChem CID: 165113640
• Molecular Formula: C22H26BrN7O2
• Molecular Weight: 500.40 g/mol
• Exact Mass: 499.13
• IUPAC Name: 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine
• SMILES: Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(Br)cn4)CC3)c2c1
• InChI: InChI=1S/C22H26BrN7O2/c23-14-11-26-22(27-12-14)28-16-1-3-17(4-2-16)32-21-18-9-15(24)13-25-19(18)10-20(29-21)30-5-7-31-8-6-30/h9-13,16-17H,1-8,24H2,(H,26,27,28)
• InChIKey: MACVPWMNOGANQE-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 111.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.40
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine?

The IUPAC name of 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine (CID 165113640) is 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine.

What is the SMILES notation for 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine?

The canonical SMILES for 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine is Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ncc(Br)cn4)CC3)c2c1.

What is the InChIKey of 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine?

The InChIKey is MACVPWMNOGANQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN7O2/c23-14-11-26-22(27-12-14)28-16-1-3-17(4-2-16)32-21-18-9-15(24)13-25-19(18)10-20(29-21)30-5-7-31-8-6-30/h9-13,16-17H,1-8,24H2,(H,26,27,28).

What are the key properties of 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine?

5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine has a molecular weight of 500.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine is sourced from PubChem (CID 165113640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).