6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine

C24H16F3N3O2 — CID 122684731

IUPAC6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)COc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)13-31-16-10-8-15(9-11-16)30-22-12-20(28-14-29-22)19-6-3-5-18-17-4-1-2-7-21(17)32-23(18)19/h1-12,14H,13H2,(H,28,29,30)
InChIKeyJPGHKXBVYDYBIY-UHFFFAOYSA-N
MW435.41 g/mol
LogP6.73
Rot. Bonds5

About 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine

6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine (PubChem CID 122684731) has the molecular formula C24H16F3N3O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine
PubChem CID122684731
Molecular FormulaC24H16F3N3O2
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)COc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)13-31-16-10-8-15(9-11-16)30-22-12-20(28-14-29-22)19-6-3-5-18-17-4-1-2-7-21(17)32-23(18)19/h1-12,14H,13H2,(H,28,29,30)
InChIKeyJPGHKXBVYDYBIY-UHFFFAOYSA-N
XLogP6.73
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine (CID 122684731) is 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)COc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is JPGHKXBVYDYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O2/c25-24(26,27)13-31-16-10-8-15(9-11-16)30-22-12-20(28-14-29-22)19-6-3-5-18-17-4-1-2-7-21(17)32-23(18)19/h1-12,14H,13H2,(H,28,29,30).
What are the key properties of 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine?
6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 435.41 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 122684731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).