5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C₁₅H₁₆Br₂FN₃ — CID 107281456

About 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 107281456) has the molecular formula C₁₅H₁₆Br₂FN₃ and a molecular weight of 417.12 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
• PubChem CID: 107281456
• Molecular Formula: C₁₅H₁₆Br₂FN₃
• Molecular Weight: 417.12 g/mol
• Exact Mass: 414.97
• IUPAC Name: 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
• SMILES: CCNc1nc(-c2ccc(F)cc2Br)nc(C(C)C)c1Br
• InChI: InChI=1S/C15H16Br2FN3/c1-4-19-15-12(17)13(8(2)3)20-14(21-15)10-6-5-9(18)7-11(10)16/h5-8H,4H2,1-3H3,(H,19,20,21)
• InChIKey: GVHUGVDFMZTITC-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.12
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?

The IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 107281456) is 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

What is the SMILES notation for 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?

The canonical SMILES for 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccc(F)cc2Br)nc(C(C)C)c1Br.

What is the InChIKey of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?

The InChIKey is GVHUGVDFMZTITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2FN3/c1-4-19-15-12(17)13(8(2)3)20-14(21-15)10-6-5-9(18)7-11(10)16/h5-8H,4H2,1-3H3,(H,19,20,21).

What are the key properties of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?

5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 417.12 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107281456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107281456 — identifiers, structure, computed properties (public domain)

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