6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C23H14F3N3O2 — CID 58560820

IUPAC6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1
InChIInChI=1S/C23H14F3N3O2/c24-23(25,26)31-15-10-8-14(9-11-15)29-21-12-19(27-13-28-21)18-6-3-5-17-16-4-1-2-7-20(16)30-22(17)18/h1-13H,(H,27,28,29)
InChIKeySGNFJQISTTULMB-UHFFFAOYSA-N
MW421.38 g/mol
LogP6.69
Rot. Bonds4

About 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 58560820) has the molecular formula C23H14F3N3O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID58560820
Molecular FormulaC23H14F3N3O2
Molecular Weight421.38 g/mol
Exact Mass421.10
IUPAC Name6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1
InChIInChI=1S/C23H14F3N3O2/c24-23(25,26)31-15-10-8-14(9-11-15)29-21-12-19(27-13-28-21)18-6-3-5-17-16-4-1-2-7-20(16)30-22(17)18/h1-13H,(H,27,28,29)
InChIKeySGNFJQISTTULMB-UHFFFAOYSA-N
XLogP6.69
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.38
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 58560820) is 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is SGNFJQISTTULMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O2/c24-23(25,26)31-15-10-8-14(9-11-15)29-21-12-19(27-13-28-21)18-6-3-5-17-16-4-1-2-7-20(16)30-22(17)18/h1-13H,(H,27,28,29).
What are the key properties of 6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-dibenzofuran-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 421.38 g/mol, XLogP of 6.69, 4 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-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 58560820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).