2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C18H19N3O — CID 17434936

IUPAC2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccccc1NCc1cc(=O)n2c(C)cccc2n1
InChIInChI=1S/C18H19N3O/c1-3-14-8-4-5-9-16(14)19-12-15-11-18(22)21-13(2)7-6-10-17(21)20-15/h4-11,19H,3,12H2,1-2H3
InChIKeyUHRFETXRDSPGRZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.18
Rot. Bonds4

About 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 17434936) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID17434936
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccccc1NCc1cc(=O)n2c(C)cccc2n1
InChIInChI=1S/C18H19N3O/c1-3-14-8-4-5-9-16(14)19-12-15-11-18(22)21-13(2)7-6-10-17(21)20-15/h4-11,19H,3,12H2,1-2H3
InChIKeyUHRFETXRDSPGRZ-UHFFFAOYSA-N
XLogP3.18
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 17434936) is 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CCc1ccccc1NCc1cc(=O)n2c(C)cccc2n1.
What is the InChIKey of 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UHRFETXRDSPGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-14-8-4-5-9-16(14)19-12-15-11-18(22)21-13(2)7-6-10-17(21)20-15/h4-11,19H,3,12H2,1-2H3.
What are the key properties of 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylanilino)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17434936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).