N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine

C₂₄H₁₇F₂N₅ — CID 151730317

About N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine

N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine (PubChem CID 151730317) has the molecular formula C₂₄H₁₇F₂N₅ and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine
• PubChem CID: 151730317
• Molecular Formula: C₂₄H₁₇F₂N₅
• Molecular Weight: 413.43 g/mol
• Exact Mass: 413.15
• IUPAC Name: N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine
• SMILES: Fc1cc2ncccc2c(F)c1CCNc1cc(-c2ccc3ncccc3c2)ncn1
• InChI: InChI=1S/C24H17F2N5/c25-19-12-22-18(4-2-9-28-22)24(26)17(19)7-10-29-23-13-21(30-14-31-23)16-5-6-20-15(11-16)3-1-8-27-20/h1-6,8-9,11-14H,7,10H2,(H,29,30,31)
• InChIKey: RKKQPMTYKZINSP-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.43
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine?

The IUPAC name of N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine (CID 151730317) is N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine.

What is the SMILES notation for N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine?

The canonical SMILES for N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine is Fc1cc2ncccc2c(F)c1CCNc1cc(-c2ccc3ncccc3c2)ncn1.

What is the InChIKey of N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine?

The InChIKey is RKKQPMTYKZINSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5/c25-19-12-22-18(4-2-9-28-22)24(26)17(19)7-10-29-23-13-21(30-14-31-23)16-5-6-20-15(11-16)3-1-8-27-20/h1-6,8-9,11-14H,7,10H2,(H,29,30,31).

What are the key properties of N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine?

N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine has a molecular weight of 413.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5,7-difluoroquinolin-6-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 151730317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151730317 — identifiers, structure, computed properties (public domain)

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