5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine

C22H25IN6O2 — CID 165113010

About 5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine

5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (PubChem CID 165113010) has the molecular formula C22H25IN6O2 and a molecular weight of 532.39 g/mol. Its IUPAC name is 5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
• PubChem CID: 165113010
• Molecular Formula: C22H25IN6O2
• Molecular Weight: 532.39 g/mol
• Exact Mass: 532.11
• IUPAC Name: 5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
• SMILES: Ic1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)nc1
• InChI: InChI=1S/C22H25IN6O2/c23-15-13-25-22(26-14-15)27-16-3-5-17(6-4-16)31-21-18-2-1-7-24-19(18)12-20(28-21)29-8-10-30-11-9-29/h1-2,7,12-14,16-17H,3-6,8-11H2,(H,25,26,27)
• InChIKey: CXIPCXNIAKSRJS-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 85.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.39
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine (CID 165113010) is 5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine.

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

The canonical SMILES for 5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is Ic1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)nc1.

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

The InChIKey is CXIPCXNIAKSRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25IN6O2/c23-15-13-25-22(26-14-15)27-16-3-5-17(6-4-16)31-21-18-2-1-7-24-19(18)12-20(28-21)29-8-10-30-11-9-29/h1-2,7,12-14,16-17H,3-6,8-11H2,(H,25,26,27).

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

5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine has a molecular weight of 532.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 165113010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).