6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine

C23H27F3N8O2 — CID 59507544

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H27F3N8O2/c1-33(2)5-10-36-21-4-3-15(13-29-21)30-20-12-18(31-22(32-20)34-6-8-35-9-7-34)16-14-28-19(27)11-17(16)23(24,25)26/h3-4,11-14H,5-10H2,1-2H3,(H2,27,28)(H,30,31,32)
InChIKeyVIRYYDUIJBNCHD-UHFFFAOYSA-N
MW504.52 g/mol
LogP3.06
Rot. Bonds8

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 59507544) has the molecular formula C23H27F3N8O2 and a molecular weight of 504.52 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID59507544
Molecular FormulaC23H27F3N8O2
Molecular Weight504.52 g/mol
Exact Mass504.22
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H27F3N8O2/c1-33(2)5-10-36-21-4-3-15(13-29-21)30-20-12-18(31-22(32-20)34-6-8-35-9-7-34)16-14-28-19(27)11-17(16)23(24,25)26/h3-4,11-14H,5-10H2,1-2H3,(H2,27,28)(H,30,31,32)
InChIKeyVIRYYDUIJBNCHD-UHFFFAOYSA-N
XLogP3.06
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 59507544) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine is CN(C)CCOc1ccc(Nc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is VIRYYDUIJBNCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N8O2/c1-33(2)5-10-36-21-4-3-15(13-29-21)30-20-12-18(31-22(32-20)34-6-8-35-9-7-34)16-14-28-19(27)11-17(16)23(24,25)26/h3-4,11-14H,5-10H2,1-2H3,(H2,27,28)(H,30,31,32).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 504.52 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 59507544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).