N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine

C21H14F3N5O — CID 46834933

IUPACN-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)14-3-8-19(27-12-14)29-15-4-6-16(7-5-15)30-20-17(2-1-10-26-20)18-9-11-25-13-28-18/h1-13H,(H,27,29)
InChIKeyRGQUCNBSUPMXAX-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.49
Rot. Bonds5

About N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine

N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 46834933) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID46834933
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC NameN-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)14-3-8-19(27-12-14)29-15-4-6-16(7-5-15)30-20-17(2-1-10-26-20)18-9-11-25-13-28-18/h1-13H,(H,27,29)
InChIKeyRGQUCNBSUPMXAX-UHFFFAOYSA-N
XLogP5.49
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine (CID 46834933) is N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)nc1.
What is the InChIKey of N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RGQUCNBSUPMXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c22-21(23,24)14-3-8-19(27-12-14)29-15-4-6-16(7-5-15)30-20-17(2-1-10-26-20)18-9-11-25-13-28-18/h1-13H,(H,27,29).
What are the key properties of N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 409.37 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 46834933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).