2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one

C₁₀H₁₀FN₃O — CID 115025026

About 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one

2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115025026) has the molecular formula C₁₀H₁₀FN₃O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 115025026
• Molecular Formula: C₁₀H₁₀FN₃O
• Molecular Weight: 207.21 g/mol
• Exact Mass: 207.08
• IUPAC Name: 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one
• SMILES: NCCc1cc(=O)n2cccc(F)c2n1
• InChI: InChI=1S/C10H10FN3O/c11-8-2-1-5-14-9(15)6-7(3-4-12)13-10(8)14/h1-2,5-6H,3-4,12H2
• InChIKey: GKQZFGPCAJKWEP-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 60.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.21
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one (CID 115025026) is 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one is NCCc1cc(=O)n2cccc(F)c2n1.

What is the InChIKey of 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one?

The InChIKey is GKQZFGPCAJKWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-8-2-1-5-14-9(15)6-7(3-4-12)13-10(8)14/h1-2,5-6H,3-4,12H2.

What are the key properties of 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one?

2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 207.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-9-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115025026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115025026 — identifiers, structure, computed properties (public domain)

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