2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one

C10H9BrFN3O — CID 58796853

IUPAC2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCC(N)c1nc2ccc(F)cn2c(=O)c1Br
InChIInChI=1S/C10H9BrFN3O/c1-5(13)9-8(11)10(16)15-4-6(12)2-3-7(15)14-9/h2-5H,13H2,1H3
InChIKeyXGPMEDZAOFYZPR-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.62
Rot. Bonds1

About 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one

2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 58796853) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID58796853
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESCC(N)c1nc2ccc(F)cn2c(=O)c1Br
InChIInChI=1S/C10H9BrFN3O/c1-5(13)9-8(11)10(16)15-4-6(12)2-3-7(15)14-9/h2-5H,13H2,1H3
InChIKeyXGPMEDZAOFYZPR-UHFFFAOYSA-N
XLogP1.62
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 58796853) is 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one is CC(N)c1nc2ccc(F)cn2c(=O)c1Br.
What is the InChIKey of 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XGPMEDZAOFYZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c1-5(13)9-8(11)10(16)15-4-6(12)2-3-7(15)14-9/h2-5H,13H2,1H3.
What are the key properties of 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one?
2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.10 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-bromo-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58796853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).