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

C20H23ClF3N5O3 — CID 89489883

IUPAC3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC(C)(C)C2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C20H23ClF3N5O3/c1-11(12-8-13(21)15(26-9-12)31-10-20(22,23)24)27-16-25-7-6-14(28-16)29-17(30)32-19(4,5)18(29,2)3/h6-9,11H,10H2,1-5H3,(H,25,27,28)/t11-/m0/s1
InChIKeyJDKQLRZUJAPWKW-NSHDSACASA-N
MW473.88 g/mol
LogP5.15
Rot. Bonds6

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

3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one (PubChem CID 89489883) has the molecular formula C20H23ClF3N5O3 and a molecular weight of 473.88 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
PubChem CID89489883
Molecular FormulaC20H23ClF3N5O3
Molecular Weight473.88 g/mol
Exact Mass473.14
IUPAC Name3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC(C)(C)C2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C20H23ClF3N5O3/c1-11(12-8-13(21)15(26-9-12)31-10-20(22,23)24)27-16-25-7-6-14(28-16)29-17(30)32-19(4,5)18(29,2)3/h6-9,11H,10H2,1-5H3,(H,25,27,28)/t11-/m0/s1
InChIKeyJDKQLRZUJAPWKW-NSHDSACASA-N
XLogP5.15
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.88
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one (CID 89489883) is 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC(C)(C)C2(C)C)n1)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The InChIKey is JDKQLRZUJAPWKW-NSHDSACASA-N. The full InChI is InChI=1S/C20H23ClF3N5O3/c1-11(12-8-13(21)15(26-9-12)31-10-20(22,23)24)27-16-25-7-6-14(28-16)29-17(30)32-19(4,5)18(29,2)3/h6-9,11H,10H2,1-5H3,(H,25,27,28)/t11-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one has a molecular weight of 473.88 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89489883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).