(4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one

C20H23ClF3N5O3 — CID 90347650

About (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90347650) has the molecular formula C20H23ClF3N5O3 and a molecular weight of 473.88 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 90347650
• Molecular Formula: C20H23ClF3N5O3
• Molecular Weight: 473.88 g/mol
• Exact Mass: 473.14
• IUPAC Name: (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)[C@H]1C(C)OC(=O)N1c1ccnc(N[C@@H](C)c2cnc(OCC(F)(F)F)c(Cl)c2)n1
• InChI: InChI=1S/C20H23ClF3N5O3/c1-10(2)16-12(4)32-19(30)29(16)15-5-6-25-18(28-15)27-11(3)13-7-14(21)17(26-8-13)31-9-20(22,23)24/h5-8,10-12,16H,9H2,1-4H3,(H,25,27,28)/t11-,12?,16-/m0/s1
• InChIKey: SURDSSOTTQJLSI-ASIDQLCPSA-N
• XLogP: 5.01
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.88
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90347650) is (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1C(C)OC(=O)N1c1ccnc(N[C@@H](C)c2cnc(OCC(F)(F)F)c(Cl)c2)n1.

What is the InChIKey of (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is SURDSSOTTQJLSI-ASIDQLCPSA-N. The full InChI is InChI=1S/C20H23ClF3N5O3/c1-10(2)16-12(4)32-19(30)29(16)15-5-6-25-18(28-15)27-11(3)13-7-14(21)17(26-8-13)31-9-20(22,23)24/h5-8,10-12,16H,9H2,1-4H3,(H,25,27,28)/t11-,12?,16-/m0/s1.

What are the key properties of (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 473.88 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).