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

C13H16N2O — CID 59532552

IUPAC2-pentylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCCCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-2-3-4-7-11-10-13(16)15-9-6-5-8-12(15)14-11/h5-6,8-10H,2-4,7H2,1H3
InChIKeyXJRZJVXSLSNIGW-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.43
Rot. Bonds4

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

2-pentylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 59532552) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-pentylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pentylpyrido[1,2-a]pyrimidin-4-one
PubChem CID59532552
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-pentylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCCCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-2-3-4-7-11-10-13(16)15-9-6-5-8-12(15)14-11/h5-6,8-10H,2-4,7H2,1H3
InChIKeyXJRZJVXSLSNIGW-UHFFFAOYSA-N
XLogP2.43
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pentylpyrido[1,2-a]pyrimidin-4-one (CID 59532552) is 2-pentylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pentylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pentylpyrido[1,2-a]pyrimidin-4-one is CCCCCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-pentylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XJRZJVXSLSNIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-3-4-7-11-10-13(16)15-9-6-5-8-12(15)14-11/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 2-pentylpyrido[1,2-a]pyrimidin-4-one?
2-pentylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59532552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).