2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one

C10H10FN3O — CID 115025029

IUPAC2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNCCc1cc(=O)n2c(F)cccc2n1
InChIInChI=1S/C10H10FN3O/c11-8-2-1-3-9-13-7(4-5-12)6-10(15)14(8)9/h1-3,6H,4-5,12H2
InChIKeyKBJQKTXMFFQBPG-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.33
Rot. Bonds2

About 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one

2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115025029) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID115025029
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNCCc1cc(=O)n2c(F)cccc2n1
InChIInChI=1S/C10H10FN3O/c11-8-2-1-3-9-13-7(4-5-12)6-10(15)14(8)9/h1-3,6H,4-5,12H2
InChIKeyKBJQKTXMFFQBPG-UHFFFAOYSA-N
XLogP0.33
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one (CID 115025029) is 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one is NCCc1cc(=O)n2c(F)cccc2n1.
What is the InChIKey of 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KBJQKTXMFFQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-8-2-1-3-9-13-7(4-5-12)6-10(15)14(8)9/h1-3,6H,4-5,12H2.
What are the key properties of 2-(2-aminoethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one?
2-(2-aminoethyl)-6-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)-6-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115025029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).