3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane

C15H22N2O — CID 143696573

IUPAC3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.CCCCc1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C13H16N2O.C2H6/c1-3-4-5-11-9-14-12-8-10(2)6-7-15(12)13(11)16;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyYBIBVWSDKGERKX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.37
Rot. Bonds3

About 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane

3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane (PubChem CID 143696573) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane
PubChem CID143696573
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane
SMILESCC.CCCCc1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C13H16N2O.C2H6/c1-3-4-5-11-9-14-12-8-10(2)6-7-15(12)13(11)16;1-2/h6-9H,3-5H2,1-2H3;1-2H3
InChIKeyYBIBVWSDKGERKX-UHFFFAOYSA-N
XLogP3.37
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The IUPAC name of 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane (CID 143696573) is 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane.
What is the SMILES notation for 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The canonical SMILES for 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane is CC.CCCCc1cnc2cc(C)ccn2c1=O.
What is the InChIKey of 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
The InChIKey is YBIBVWSDKGERKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C2H6/c1-3-4-5-11-9-14-12-8-10(2)6-7-15(12)13(11)16;1-2/h6-9H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane?
3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 246.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-methylpyrido[1,2-a]pyrimidin-4-one;ethane is sourced from PubChem (CID 143696573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).