4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine

C23H23F5N6 — CID 154307486

About 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine

4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 154307486) has the molecular formula C23H23F5N6 and a molecular weight of 478.47 g/mol. Its IUPAC name is 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

• Compound Name: 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
• PubChem CID: 154307486
• Molecular Formula: C23H23F5N6
• Molecular Weight: 478.47 g/mol
• Exact Mass: 478.19
• IUPAC Name: 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
• SMILES: NC1(C2CCC(F)(F)C2)N=C(c2cccc(C(F)(F)F)n2)N/C(=N\C2Cc3ccccc3C2)N1
• InChI: InChI=1S/C23H23F5N6/c24-21(25)9-8-15(12-21)23(29)33-19(17-6-3-7-18(31-17)22(26,27)28)32-20(34-23)30-16-10-13-4-1-2-5-14(13)11-16/h1-7,15-16H,8-12,29H2,(H2,30,32,33,34)
• InChIKey: APIHESKBLHVTHG-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 87.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.47
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?

The IUPAC name of 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 154307486) is 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine.

What is the SMILES notation for 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?

The canonical SMILES for 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine is NC1(C2CCC(F)(F)C2)N=C(c2cccc(C(F)(F)F)n2)N/C(=N\C2Cc3ccccc3C2)N1.

What is the InChIKey of 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?

The InChIKey is APIHESKBLHVTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N6/c24-21(25)9-8-15(12-21)23(29)33-19(17-6-3-7-18(31-17)22(26,27)28)32-20(34-23)30-16-10-13-4-1-2-5-14(13)11-16/h1-7,15-16H,8-12,29H2,(H2,30,32,33,34).

What are the key properties of 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?

4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 478.47 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 154307486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).