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

C20H24F3N7O3 — CID 162592459

IUPAC(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@H]1OC(=O)N(c2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)[C@H]1C
InChIInChI=1S/C20H24F3N7O3/c1-3-4-14-11(2)30(19(31)33-14)15-9-13(26-18(27-15)29-5-7-32-8-6-29)12-10-25-17(24)28-16(12)20(21,22)23/h9-11,14H,3-8H2,1-2H3,(H2,24,25,28)/t11-,14+/m0/s1
InChIKeyVVOVPDIFDMVGDR-SMDDNHRTSA-N
MW467.45 g/mol
LogP2.88
Rot. Bonds5

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

(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-propyl-1,3-oxazolidin-2-one (PubChem CID 162592459) has the molecular formula C20H24F3N7O3 and a molecular weight of 467.45 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-propyl-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-methyl-5-propyl-1,3-oxazolidin-2-one
PubChem CID162592459
Molecular FormulaC20H24F3N7O3
Molecular Weight467.45 g/mol
Exact Mass467.19
IUPAC Name(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-propyl-1,3-oxazolidin-2-one
SMILESCCC[C@H]1OC(=O)N(c2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)[C@H]1C
InChIInChI=1S/C20H24F3N7O3/c1-3-4-14-11(2)30(19(31)33-14)15-9-13(26-18(27-15)29-5-7-32-8-6-29)12-10-25-17(24)28-16(12)20(21,22)23/h9-11,14H,3-8H2,1-2H3,(H2,24,25,28)/t11-,14+/m0/s1
InChIKeyVVOVPDIFDMVGDR-SMDDNHRTSA-N
XLogP2.88
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one
CID 121477321
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 75201318
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 90124010
(4R,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 90134611
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 90134630
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one
CID 129275211
[3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol
CID 161150053
1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate
CID 162592457
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-[2-hydroxyethyl(propyl)amino]pyrimidin-4-yl]-5-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 163662943
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652
(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
(3S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 141372756

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-propyl-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-methyl-5-propyl-1,3-oxazolidin-2-one (CID 162592459) is (4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-propyl-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-methyl-5-propyl-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-methyl-5-propyl-1,3-oxazolidin-2-one is CCC[C@H]1OC(=O)N(c2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)[C@H]1C.
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-propyl-1,3-oxazolidin-2-one?
The InChIKey is VVOVPDIFDMVGDR-SMDDNHRTSA-N. The full InChI is InChI=1S/C20H24F3N7O3/c1-3-4-14-11(2)30(19(31)33-14)15-9-13(26-18(27-15)29-5-7-32-8-6-29)12-10-25-17(24)28-16(12)20(21,22)23/h9-11,14H,3-8H2,1-2H3,(H2,24,25,28)/t11-,14+/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-propyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-propyl-1,3-oxazolidin-2-one has a molecular weight of 467.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 162592459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).