3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one

C11H11BrN2O2 — CID 68855687

IUPAC3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1nc2ccccn2c(=O)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-2-7-16-10-9(12)11(15)14-6-4-3-5-8(14)13-10/h3-6H,2,7H2,1H3
InChIKeyJOKTVGKFKUQLSJ-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.25
Rot. Bonds3

About 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one

3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 68855687) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID68855687
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1nc2ccccn2c(=O)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-2-7-16-10-9(12)11(15)14-6-4-3-5-8(14)13-10/h3-6H,2,7H2,1H3
InChIKeyJOKTVGKFKUQLSJ-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one (CID 68855687) is 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one is CCCOc1nc2ccccn2c(=O)c1Br.
What is the InChIKey of 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JOKTVGKFKUQLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-7-16-10-9(12)11(15)14-6-4-3-5-8(14)13-10/h3-6H,2,7H2,1H3.
What are the key properties of 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.12 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-propoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68855687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).