9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one

C12H14N2O2 — CID 59532555

IUPAC9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cc(=O)n2cccc(OC)c2n1
InChIInChI=1S/C12H14N2O2/c1-3-5-9-8-11(15)14-7-4-6-10(16-2)12(14)13-9/h4,6-8H,3,5H2,1-2H3
InChIKeyDYRVNTDQNWSCKK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.66
Rot. Bonds3

About 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one

9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 59532555) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one
PubChem CID59532555
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cc(=O)n2cccc(OC)c2n1
InChIInChI=1S/C12H14N2O2/c1-3-5-9-8-11(15)14-7-4-6-10(16-2)12(14)13-9/h4,6-8H,3,5H2,1-2H3
InChIKeyDYRVNTDQNWSCKK-UHFFFAOYSA-N
XLogP1.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one (CID 59532555) is 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one is CCCc1cc(=O)n2cccc(OC)c2n1.
What is the InChIKey of 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DYRVNTDQNWSCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-5-9-8-11(15)14-7-4-6-10(16-2)12(14)13-9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one?
9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 218.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-propylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59532555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).