2-butylpyrido[1,2-a]pyrimidin-4-one

C12H14N2O — CID 68856685

IUPAC2-butylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H14N2O/c1-2-3-6-10-9-12(15)14-8-5-4-7-11(14)13-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyOEXZYZZJYRLTJZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.04
Rot. Bonds3

About 2-butylpyrido[1,2-a]pyrimidin-4-one

2-butylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 68856685) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-butylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-butylpyrido[1,2-a]pyrimidin-4-one
PubChem CID68856685
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-butylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H14N2O/c1-2-3-6-10-9-12(15)14-8-5-4-7-11(14)13-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyOEXZYZZJYRLTJZ-UHFFFAOYSA-N
XLogP2.04
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-butylpyrido[1,2-a]pyrimidin-4-one (CID 68856685) is 2-butylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-butylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-butylpyrido[1,2-a]pyrimidin-4-one is CCCCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-butylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OEXZYZZJYRLTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-3-6-10-9-12(15)14-8-5-4-7-11(14)13-10/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 2-butylpyrido[1,2-a]pyrimidin-4-one?
2-butylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 202.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68856685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).