3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one

C13H16N2O — CID 90084628

IUPAC3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1cnc2c(C)cccn2c1=O
InChIInChI=1S/C13H16N2O/c1-3-4-7-11-9-14-12-10(2)6-5-8-15(12)13(11)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNGIAFISKQZHEIS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.35
Rot. Bonds3

About 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one

3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 90084628) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID90084628
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1cnc2c(C)cccn2c1=O
InChIInChI=1S/C13H16N2O/c1-3-4-7-11-9-14-12-10(2)6-5-8-15(12)13(11)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNGIAFISKQZHEIS-UHFFFAOYSA-N
XLogP2.35
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 90084628) is 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one is CCCCc1cnc2c(C)cccn2c1=O.
What is the InChIKey of 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NGIAFISKQZHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-4-7-11-9-14-12-10(2)6-5-8-15(12)13(11)16/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one?
3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 90084628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).