5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine

C19H22F3N5O2 — CID 58508157

IUPAC5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)cn1
InChIInChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24)
InChIKeyPYIZPPLCBSHXDH-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.42
Rot. Bonds3

About 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine

5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 58508157) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID58508157
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)cn1
InChIInChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24)
InChIKeyPYIZPPLCBSHXDH-UHFFFAOYSA-N
XLogP2.42
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine (CID 58508157) is 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)c2)cn1.
What is the InChIKey of 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PYIZPPLCBSHXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24).
What are the key properties of 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine?
5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 409.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 58508157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).