5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C23H19F3N6O2 — CID 59507473

IUPAC5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Oc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)17-11-20(27)29-13-16(17)19-12-21(31-22(30-19)32-6-8-33-9-7-32)34-15-3-4-18-14(10-15)2-1-5-28-18/h1-5,10-13H,6-9H2,(H2,27,29)
InChIKeyOZQLLWXSWLMYAZ-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.32
Rot. Bonds4

About 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507473) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507473
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Oc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)17-11-20(27)29-13-16(17)19-12-21(31-22(30-19)32-6-8-33-9-7-32)34-15-3-4-18-14(10-15)2-1-5-28-18/h1-5,10-13H,6-9H2,(H2,27,29)
InChIKeyOZQLLWXSWLMYAZ-UHFFFAOYSA-N
XLogP4.32
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 59507473) is 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(Oc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OZQLLWXSWLMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c24-23(25,26)17-11-20(27)29-13-16(17)19-12-21(31-22(30-19)32-6-8-33-9-7-32)34-15-3-4-18-14(10-15)2-1-5-28-18/h1-5,10-13H,6-9H2,(H2,27,29).
What are the key properties of 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 468.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-6-quinolin-6-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).