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

C21H26F3N7O4 — CID 121477321

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

3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 121477321) has the molecular formula C21H26F3N7O4 and a molecular weight of 497.48 g/mol. Its IUPAC name is 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 121477321
• Molecular Formula: C21H26F3N7O4
• Molecular Weight: 497.48 g/mol
• Exact Mass: 497.20
• IUPAC Name: 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one
• SMILES: CC1C(CC(C)(C)O)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
• InChI: InChI=1S/C21H26F3N7O4/c1-11-14(9-20(2,3)33)35-19(32)31(11)15-8-13(27-18(28-15)30-4-6-34-7-5-30)12-10-26-17(25)29-16(12)21(22,23)24/h8,10-11,14,33H,4-7,9H2,1-3H3,(H2,25,26,29)
• InChIKey: BEIYCINBGHLMPW-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 139.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.48
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
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]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one (CID 121477321) is 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-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]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one is CC1C(CC(C)(C)O)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]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is BEIYCINBGHLMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N7O4/c1-11-14(9-20(2,3)33)35-19(32)31(11)15-8-13(27-18(28-15)30-4-6-34-7-5-30)12-10-26-17(25)29-16(12)21(22,23)24/h8,10-11,14,33H,4-7,9H2,1-3H3,(H2,25,26,29).

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

3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 497.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 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]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 121477321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).