5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C20H25F3N6O2 — CID 78324546

IUPAC5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)cc(N3CCOCC3)n2)C[C@H](C)O1
InChIInChI=1S/C20H25F3N6O2/c1-12-10-29(11-13(2)31-12)19-26-16(8-18(27-19)28-3-5-30-6-4-28)14-9-25-17(24)7-15(14)20(21,22)23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H2,24,25)/t12-,13+
InChIKeyIWWKDDYPJSDWGB-BETUJISGSA-N
MW438.45 g/mol
LogP2.59
Rot. Bonds3

About 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 78324546) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID78324546
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)cc(N3CCOCC3)n2)C[C@H](C)O1
InChIInChI=1S/C20H25F3N6O2/c1-12-10-29(11-13(2)31-12)19-26-16(8-18(27-19)28-3-5-30-6-4-28)14-9-25-17(24)7-15(14)20(21,22)23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H2,24,25)/t12-,13+
InChIKeyIWWKDDYPJSDWGB-BETUJISGSA-N
XLogP2.59
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 78324546) is 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is C[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)cc(N3CCOCC3)n2)C[C@H](C)O1.
What is the InChIKey of 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IWWKDDYPJSDWGB-BETUJISGSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c1-12-10-29(11-13(2)31-12)19-26-16(8-18(27-19)28-3-5-30-6-4-28)14-9-25-17(24)7-15(14)20(21,22)23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H2,24,25)/t12-,13+.
What are the key properties of 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 438.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 78324546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).