(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C25H26F3N7O6 — CID 75201322

IUPAC(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESNc1ncc(-c2cc(N3C(=O)O[C@@H](c4ccc(OCCO)cc4)[C@@H]3CO)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/m0/s1
InChIKeyMFZIKQUQYUQHHO-ICSRJNTNSA-N
MW577.52 g/mol
LogP1.80
Rot. Bonds8

About (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 75201322) has the molecular formula C25H26F3N7O6 and a molecular weight of 577.52 g/mol. Its IUPAC name is (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID75201322
Molecular FormulaC25H26F3N7O6
Molecular Weight577.52 g/mol
Exact Mass577.19
IUPAC Name(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESNc1ncc(-c2cc(N3C(=O)O[C@@H](c4ccc(OCCO)cc4)[C@@H]3CO)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/m0/s1
InChIKeyMFZIKQUQYUQHHO-ICSRJNTNSA-N
XLogP1.80
TPSA169.28 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.52
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

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CID 90416330

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 75201322) is (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is Nc1ncc(-c2cc(N3C(=O)O[C@@H](c4ccc(OCCO)cc4)[C@@H]3CO)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is MFZIKQUQYUQHHO-ICSRJNTNSA-N. The full InChI is InChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/m0/s1.
What are the key properties of (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 577.52 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-[4-(2-hydroxyethoxy)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 75201322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).