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

C21H21F3N8O3S — CID 75201320

IUPAC(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
SMILESCC[C@H]1[C@H](c2nccs2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C21H21F3N8O3S/c1-2-13-15(17-26-3-8-36-17)35-20(33)32(13)14-9-12(28-19(29-14)31-4-6-34-7-5-31)11-10-27-18(25)30-16(11)21(22,23)24/h3,8-10,13,15H,2,4-7H2,1H3,(H2,25,27,30)/t13-,15+/m0/s1
InChIKeyKHRXQDBORJPARY-DZGCQCFKSA-N
MW522.51 g/mol
LogP3.30
Rot. Bonds5

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

(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 75201320) has the molecular formula C21H21F3N8O3S and a molecular weight of 522.51 g/mol. Its IUPAC name is (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
PubChem CID75201320
Molecular FormulaC21H21F3N8O3S
Molecular Weight522.51 g/mol
Exact Mass522.14
IUPAC Name(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
SMILESCC[C@H]1[C@H](c2nccs2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C21H21F3N8O3S/c1-2-13-15(17-26-3-8-36-17)35-20(33)32(13)14-9-12(28-19(29-14)31-4-6-34-7-5-31)11-10-27-18(25)30-16(11)21(22,23)24/h3,8-10,13,15H,2,4-7H2,1H3,(H2,25,27,30)/t13-,15+/m0/s1
InChIKeyKHRXQDBORJPARY-DZGCQCFKSA-N
XLogP3.30
TPSA132.48 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-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

Related Compounds

US10202371, Example 1
CID 73774658
US9434719, 251 as TFA salt
CID 86269417
US10202371, Example 11
CID 90134588
(4S)-3-[2-[1-(2-phenyl-1,3-thiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347633
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-(2-phenyl-1,3-thiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90451943
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90451956
(4R)-3-[5-fluoro-2-[1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451958
US9434719, 248 as TFA salt
CID 90451998
US9434719, 247 as TFA salt
CID 90451999
US9434719, 246 as TFA salt
CID 90452001
US9434719, 428 as TFA salt
CID 90452083
US9434719, 440 as TFA salt
CID 90452094

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one (CID 75201320) is (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one is CC[C@H]1[C@H](c2nccs2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is KHRXQDBORJPARY-DZGCQCFKSA-N. The full InChI is InChI=1S/C21H21F3N8O3S/c1-2-13-15(17-26-3-8-36-17)35-20(33)32(13)14-9-12(28-19(29-14)31-4-6-34-7-5-31)11-10-27-18(25)30-16(11)21(22,23)24/h3,8-10,13,15H,2,4-7H2,1H3,(H2,25,27,30)/t13-,15+/m0/s1.
What are the key properties of (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 522.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 75201320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).