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

C26H28F3N7O6 — CID 75201323

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

(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one (PubChem CID 75201323) has the molecular formula C26H28F3N7O6 and a molecular weight of 591.55 g/mol. Its IUPAC name is (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-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-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 75201323
• Molecular Formula: C26H28F3N7O6
• Molecular Weight: 591.55 g/mol
• Exact Mass: 591.21
• IUPAC Name: (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one
• SMILES: COCCOc1ccc([C@@H]2OC(=O)N(c3cc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)n3)[C@H]2CO)cc1
• InChI: InChI=1S/C26H28F3N7O6/c1-39-10-11-41-16-4-2-15(3-5-16)21-19(14-37)36(25(38)42-21)20-12-18(32-24(33-20)35-6-8-40-9-7-35)17-13-31-23(30)34-22(17)26(27,28)29/h2-5,12-13,19,21,37H,6-11,14H2,1H3,(H2,30,31,34)/t19-,21-/m0/s1
• InChIKey: BAQGYVIJTGMSNW-FPOVZHCZSA-N
• XLogP: 2.46
• TPSA: 158.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.55
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

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-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-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-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one (CID 75201323) is (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-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-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-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-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one is COCCOc1ccc([C@@H]2OC(=O)N(c3cc(-c4cnc(N)nc4C(F)(F)F)nc(N4CCOCC4)n3)[C@H]2CO)cc1.

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

The InChIKey is BAQGYVIJTGMSNW-FPOVZHCZSA-N. The full InChI is InChI=1S/C26H28F3N7O6/c1-39-10-11-41-16-4-2-15(3-5-16)21-19(14-37)36(25(38)42-21)20-12-18(32-24(33-20)35-6-8-40-9-7-35)17-13-31-23(30)34-22(17)26(27,28)29/h2-5,12-13,19,21,37H,6-11,14H2,1H3,(H2,30,31,34)/t19-,21-/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-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one?

(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 591.55 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 12 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-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 75201323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).