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

C23H23F3N8O3 — CID 75201324

IUPAC3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCCC1C(c2cccnc2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C23H23F3N8O3/c1-2-16-18(13-4-3-5-28-11-13)37-22(35)34(16)17-10-15(30-21(31-17)33-6-8-36-9-7-33)14-12-29-20(27)32-19(14)23(24,25)26/h3-5,10-12,16,18H,2,6-9H2,1H3,(H2,27,29,32)
InChIKeyFELXZCICGXSJHQ-UHFFFAOYSA-N
MW516.48 g/mol
LogP3.24
Rot. Bonds5

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

3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 75201324) has the molecular formula C23H23F3N8O3 and a molecular weight of 516.48 g/mol. Its IUPAC name is 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID75201324
Molecular FormulaC23H23F3N8O3
Molecular Weight516.48 g/mol
Exact Mass516.18
IUPAC Name3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCCC1C(c2cccnc2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C23H23F3N8O3/c1-2-16-18(13-4-3-5-28-11-13)37-22(35)34(16)17-10-15(30-21(31-17)33-6-8-36-9-7-33)14-12-29-20(27)32-19(14)23(24,25)26/h3-5,10-12,16,18H,2,6-9H2,1H3,(H2,27,29,32)
InChIKeyFELXZCICGXSJHQ-UHFFFAOYSA-N
XLogP3.24
TPSA132.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 75201324) is 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-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]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one is CCC1C(c2cccnc2)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]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is FELXZCICGXSJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O3/c1-2-16-18(13-4-3-5-28-11-13)37-22(35)34(16)17-10-15(30-21(31-17)33-6-8-36-9-7-33)14-12-29-20(27)32-19(14)23(24,25)26/h3-5,10-12,16,18H,2,6-9H2,1H3,(H2,27,29,32).
What are the key properties of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 516.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 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]-4-ethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 75201324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).