4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine

C32H37N5O3 — CID 141113577

About 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine

4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine (PubChem CID 141113577) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine
• PubChem CID: 141113577
• Molecular Formula: C32H37N5O3
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.29
• IUPAC Name: 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine
• SMILES: COc1ccc(C(C)(C)C)cc1N1CCN(c2ccc(Oc3ccnc(N4CCOCC4)n3)c3ccccc23)C1
• InChI: InChI=1S/C32H37N5O3/c1-32(2,3)23-9-11-29(38-4)27(21-23)37-16-15-36(22-37)26-10-12-28(25-8-6-5-7-24(25)26)40-30-13-14-33-31(34-30)35-17-19-39-20-18-35/h5-14,21H,15-20,22H2,1-4H3
• InChIKey: FBHBMWVUEULJJE-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 63.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine?

The IUPAC name of 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine (CID 141113577) is 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine.

What is the SMILES notation for 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine?

The canonical SMILES for 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine is COc1ccc(C(C)(C)C)cc1N1CCN(c2ccc(Oc3ccnc(N4CCOCC4)n3)c3ccccc23)C1.

What is the InChIKey of 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine?

The InChIKey is FBHBMWVUEULJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-32(2,3)23-9-11-29(38-4)27(21-23)37-16-15-36(22-37)26-10-12-28(25-8-6-5-7-24(25)26)40-30-13-14-33-31(34-30)35-17-19-39-20-18-35/h5-14,21H,15-20,22H2,1-4H3.

What are the key properties of 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine?

4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine has a molecular weight of 539.68 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[3-(5-tert-butyl-2-methoxyphenyl)imidazolidin-1-yl]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine is sourced from PubChem (CID 141113577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).