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

C11H12N2O2 — CID 3623775

IUPAC2-propoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1cc(=O)n2ccccc2n1
InChIInChI=1S/C11H12N2O2/c1-2-7-15-10-8-11(14)13-6-4-3-5-9(13)12-10/h3-6,8H,2,7H2,1H3
InChIKeyADWLEQHYPMISKG-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.48
Rot. Bonds3

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

2-propoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 3623775) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-propoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-propoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID3623775
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-propoxypyrido[1,2-a]pyrimidin-4-one
SMILESCCCOc1cc(=O)n2ccccc2n1
InChIInChI=1S/C11H12N2O2/c1-2-7-15-10-8-11(14)13-6-4-3-5-9(13)12-10/h3-6,8H,2,7H2,1H3
InChIKeyADWLEQHYPMISKG-UHFFFAOYSA-N
XLogP1.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-propoxypyrido[1,2-a]pyrimidin-4-one (CID 3623775) is 2-propoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-propoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-propoxypyrido[1,2-a]pyrimidin-4-one is CCCOc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-propoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ADWLEQHYPMISKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-7-15-10-8-11(14)13-6-4-3-5-9(13)12-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-propoxypyrido[1,2-a]pyrimidin-4-one?
2-propoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 204.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3623775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).