5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C23H26F3N7O2 — CID 59507775

IUPAC5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)CCOc1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H26F3N7O2/c1-32(2)3-8-35-16-9-15(12-28-13-16)19-11-20(31-22(30-19)33-4-6-34-7-5-33)17-14-29-21(27)10-18(17)23(24,25)26/h9-14H,3-8H2,1-2H3,(H2,27,29)
InChIKeySNAPHHLPHQEHEG-UHFFFAOYSA-N
MW489.50 g/mol
LogP2.98
Rot. Bonds7

About 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507775) has the molecular formula C23H26F3N7O2 and a molecular weight of 489.50 g/mol. Its IUPAC name is 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507775
Molecular FormulaC23H26F3N7O2
Molecular Weight489.50 g/mol
Exact Mass489.21
IUPAC Name5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)CCOc1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H26F3N7O2/c1-32(2)3-8-35-16-9-15(12-28-13-16)19-11-20(31-22(30-19)33-4-6-34-7-5-33)17-14-29-21(27)10-18(17)23(24,25)26/h9-14H,3-8H2,1-2H3,(H2,27,29)
InChIKeySNAPHHLPHQEHEG-UHFFFAOYSA-N
XLogP2.98
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507775) is 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CN(C)CCOc1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SNAPHHLPHQEHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N7O2/c1-32(2)3-8-35-16-9-15(12-28-13-16)19-11-20(31-22(30-19)33-4-6-34-7-5-33)17-14-29-21(27)10-18(17)23(24,25)26/h9-14H,3-8H2,1-2H3,(H2,27,29).
What are the key properties of 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 489.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).