(4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

C22H20F4N6O3 — CID 86268390

About (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 86268390) has the molecular formula C22H20F4N6O3 and a molecular weight of 492.43 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
• PubChem CID: 86268390
• Molecular Formula: C22H20F4N6O3
• Molecular Weight: 492.43 g/mol
• Exact Mass: 492.15
• IUPAC Name: (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ncc(-c2ccc(F)c(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C22H20F4N6O3/c1-11(30-20-27-6-5-18(31-20)32-17(12(2)33)10-35-21(32)34)19-28-8-14(9-29-19)13-3-4-16(23)15(7-13)22(24,25)26/h3-9,11-12,17,33H,10H2,1-2H3,(H,27,30,31)/t11-,12+,17+/m0/s1
• InChIKey: HEWNCZLHQDDEPX-XWCIJXRUSA-N
• XLogP: 3.97
• TPSA: 113.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.43
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 86268390) is (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ncc(-c2ccc(F)c(C(F)(F)F)c2)cn1.

What is the InChIKey of (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?

The InChIKey is HEWNCZLHQDDEPX-XWCIJXRUSA-N. The full InChI is InChI=1S/C22H20F4N6O3/c1-11(30-20-27-6-5-18(31-20)32-17(12(2)33)10-35-21(32)34)19-28-8-14(9-29-19)13-3-4-16(23)15(7-13)22(24,25)26/h3-9,11-12,17,33H,10H2,1-2H3,(H,27,30,31)/t11-,12+,17+/m0/s1.

What are the key properties of (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?

(4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 492.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86268390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).