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

C20H21F3N8O3S — CID 137482758

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

(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol (PubChem CID 137482758) has the molecular formula C20H21F3N8O3S and a molecular weight of 510.50 g/mol. Its IUPAC name is (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol.

Molecular Properties

• Compound Name: (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol
• PubChem CID: 137482758
• Molecular Formula: C20H21F3N8O3S
• Molecular Weight: 510.50 g/mol
• Exact Mass: 510.14
• IUPAC Name: (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol
• SMILES: C[C@H]1[C@H](c2nccs2)OC(O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
• InChI: InChI=1S/C20H21F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14,19,32H,3-6H2,1H3,(H2,24,26,29)/t10-,14+,19?/m0/s1
• InChIKey: RRXOAMLTXUXYII-SPHQBLFPSA-N
• XLogP: 2.07
• TPSA: 135.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.50
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol?

The IUPAC name of (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol (CID 137482758) is (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol.

What is the SMILES notation for (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol?

The canonical SMILES for (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol is C[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-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol?

The InChIKey is RRXOAMLTXUXYII-SPHQBLFPSA-N. The full InChI is InChI=1S/C20H21F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14,19,32H,3-6H2,1H3,(H2,24,26,29)/t10-,14+,19?/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-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol?

(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol has a molecular weight of 510.50 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 12 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-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol is sourced from PubChem (CID 137482758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).