3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one

C13H16N2O — CID 3053751

IUPAC3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)nc2cc(C)cc(C)n2c1=O
InChIInChI=1S/C13H16N2O/c1-5-11-10(4)14-12-7-8(2)6-9(3)15(12)13(11)16/h6-7H,5H2,1-4H3
InChIKeyDFNXHNBRQIABNY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.18
Rot. Bonds1

About 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one

3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 3053751) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID3053751
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)nc2cc(C)cc(C)n2c1=O
InChIInChI=1S/C13H16N2O/c1-5-11-10(4)14-12-7-8(2)6-9(3)15(12)13(11)16/h6-7H,5H2,1-4H3
InChIKeyDFNXHNBRQIABNY-UHFFFAOYSA-N
XLogP2.18
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one (CID 3053751) is 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one is CCc1c(C)nc2cc(C)cc(C)n2c1=O.
What is the InChIKey of 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DFNXHNBRQIABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-5-11-10(4)14-12-7-8(2)6-9(3)15(12)13(11)16/h6-7H,5H2,1-4H3.
What are the key properties of 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one?
3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3053751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).