5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C23H24F3N7O2 — CID 59507860

IUPAC5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOC(c4cccnc4)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H24F3N7O2/c24-23(25,26)17-10-20(27)29-13-16(17)18-11-21(31-22(30-18)32-4-7-34-8-5-32)33-6-9-35-19(14-33)15-2-1-3-28-12-15/h1-3,10-13,19H,4-9,14H2,(H2,27,29)
InChIKeyOSOJPYSQZHERTJ-UHFFFAOYSA-N
MW487.49 g/mol
LogP2.95
Rot. Bonds4

About 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507860) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507860
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC Name5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOC(c4cccnc4)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H24F3N7O2/c24-23(25,26)17-10-20(27)29-13-16(17)18-11-21(31-22(30-18)32-4-7-34-8-5-32)33-6-9-35-19(14-33)15-2-1-3-28-12-15/h1-3,10-13,19H,4-9,14H2,(H2,27,29)
InChIKeyOSOJPYSQZHERTJ-UHFFFAOYSA-N
XLogP2.95
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507860) is 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(c4cccnc4)C3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OSOJPYSQZHERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c24-23(25,26)17-10-20(27)29-13-16(17)18-11-21(31-22(30-18)32-4-7-34-8-5-32)33-6-9-35-19(14-33)15-2-1-3-28-12-15/h1-3,10-13,19H,4-9,14H2,(H2,27,29).
What are the key properties of 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 487.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-(2-pyridin-3-ylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).