3,8-diethylpyrido[1,2-a]pyrimidin-4-one

C12H14N2O — CID 166703497

IUPAC3,8-diethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccn2c(=O)c(CC)cnc2c1
InChIInChI=1S/C12H14N2O/c1-3-9-5-6-14-11(7-9)13-8-10(4-2)12(14)15/h5-8H,3-4H2,1-2H3
InChIKeyXWUDAQYHZWNVKB-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.82
Rot. Bonds2

About 3,8-diethylpyrido[1,2-a]pyrimidin-4-one

3,8-diethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 166703497) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3,8-diethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,8-diethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID166703497
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3,8-diethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccn2c(=O)c(CC)cnc2c1
InChIInChI=1S/C12H14N2O/c1-3-9-5-6-14-11(7-9)13-8-10(4-2)12(14)15/h5-8H,3-4H2,1-2H3
InChIKeyXWUDAQYHZWNVKB-UHFFFAOYSA-N
XLogP1.82
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-diethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,8-diethylpyrido[1,2-a]pyrimidin-4-one (CID 166703497) is 3,8-diethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,8-diethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,8-diethylpyrido[1,2-a]pyrimidin-4-one is CCc1ccn2c(=O)c(CC)cnc2c1.
What is the InChIKey of 3,8-diethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XWUDAQYHZWNVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9-5-6-14-11(7-9)13-8-10(4-2)12(14)15/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,8-diethylpyrido[1,2-a]pyrimidin-4-one?
3,8-diethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 202.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166703497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).