(4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H24F2N6O3 — CID 90347606

IUPAC(4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncc(OCc2ccc(F)cc2F)cn1
InChIInChI=1S/C23H24F2N6O3/c1-13(2)19-12-34-23(32)31(19)20-6-7-26-22(30-20)29-14(3)21-27-9-17(10-28-21)33-11-15-4-5-16(24)8-18(15)25/h4-10,13-14,19H,11-12H2,1-3H3,(H,26,29,30)/t14?,19-/m1/s1
InChIKeyARSKJOKTKHQAJH-JANGERMGSA-N
MW470.48 g/mol
LogP4.28
Rot. Bonds8

About (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 90347606) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID90347606
Molecular FormulaC23H24F2N6O3
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name(4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncc(OCc2ccc(F)cc2F)cn1
InChIInChI=1S/C23H24F2N6O3/c1-13(2)19-12-34-23(32)31(19)20-6-7-26-22(30-20)29-14(3)21-27-9-17(10-28-21)33-11-15-4-5-16(24)8-18(15)25/h4-10,13-14,19H,11-12H2,1-3H3,(H,26,29,30)/t14?,19-/m1/s1
InChIKeyARSKJOKTKHQAJH-JANGERMGSA-N
XLogP4.28
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

CID 71542283
CID 71542283
CID 89489748
CID 89489748
CID 89489971
CID 89489971
CID 71542191
CID 71542191
CID 71542284
CID 71542284
CID 86730259
CID 86730259
CID 86730272
CID 86730272
CID 86730283
CID 86730283
CID 86730288
CID 86730288
CID 89489899
CID 89489899
CID 89489989
CID 89489989
CID 89490009
CID 89490009

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 90347606) is (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ncc(OCc2ccc(F)cc2F)cn1.
What is the InChIKey of (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ARSKJOKTKHQAJH-JANGERMGSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-13(2)19-12-34-23(32)31(19)20-6-7-26-22(30-20)29-14(3)21-27-9-17(10-28-21)33-11-15-4-5-16(24)8-18(15)25/h4-10,13-14,19H,11-12H2,1-3H3,(H,26,29,30)/t14?,19-/m1/s1.
What are the key properties of (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 470.48 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-[5-[(2,4-difluorophenyl)methoxy]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90347606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).