3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one

C25H26F3N7O4 — CID 90134630

About 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one

3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 90134630) has the molecular formula C25H26F3N7O4 and a molecular weight of 545.52 g/mol. Its IUPAC name is 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
• PubChem CID: 90134630
• Molecular Formula: C25H26F3N7O4
• Molecular Weight: 545.52 g/mol
• Exact Mass: 545.20
• IUPAC Name: 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
• SMILES: CCC1C(c2cccc(OC)c2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
• InChI: InChI=1S/C25H26F3N7O4/c1-3-18-20(14-5-4-6-15(11-14)37-2)39-24(36)35(18)19-12-17(31-23(32-19)34-7-9-38-10-8-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-6,11-13,18,20H,3,7-10H2,1-2H3,(H2,29,30,33)
• InChIKey: CUGYZSIPEPJCFY-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 128.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.52
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?

The IUPAC name of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one (CID 90134630) is 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one is CCC1C(c2cccc(OC)c2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.

What is the InChIKey of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?

The InChIKey is CUGYZSIPEPJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O4/c1-3-18-20(14-5-4-6-15(11-14)37-2)39-24(36)35(18)19-12-17(31-23(32-19)34-7-9-38-10-8-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-6,11-13,18,20H,3,7-10H2,1-2H3,(H2,29,30,33).

What are the key properties of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?

3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 545.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90134630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).