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

C25H26F3N7O4 — CID 90124010

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

(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 90124010) has the molecular formula C25H26F3N7O4 and a molecular weight of 545.52 g/mol. Its IUPAC name is (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
• PubChem CID: 90124010
• Molecular Formula: C25H26F3N7O4
• Molecular Weight: 545.52 g/mol
• Exact Mass: 545.20
• IUPAC Name: (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
• SMILES: CC[C@H]1[C@H](c2ccc(OC)cc2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
• InChI: InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
• InChIKey: HFELRNZIXKMMLK-ICSRJNTNSA-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 (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 90124010) is (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is CC[C@H]1[C@H](c2ccc(OC)cc2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.

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

The InChIKey is HFELRNZIXKMMLK-ICSRJNTNSA-N. The full InChI is InChI=1S/C25H26F3N7O4/c1-3-18-20(14-4-6-15(37-2)7-5-14)39-24(36)35(18)19-12-17(31-23(32-19)34-8-10-38-11-9-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-7,12-13,18,20H,3,8-11H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1.

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

(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-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 (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90124010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).