2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H16BrN3O — CID 17423411

IUPAC2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)c1ccccc1Br
InChIInChI=1S/C17H16BrN3O/c1-12(14-6-2-3-7-15(14)18)19-11-13-10-17(22)21-9-5-4-8-16(21)20-13/h2-10,12,19H,11H2,1H3
InChIKeyDYIULJJPJJHATB-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.31
Rot. Bonds4

About 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 17423411) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID17423411
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)c1ccccc1Br
InChIInChI=1S/C17H16BrN3O/c1-12(14-6-2-3-7-15(14)18)19-11-13-10-17(22)21-9-5-4-8-16(21)20-13/h2-10,12,19H,11H2,1H3
InChIKeyDYIULJJPJJHATB-UHFFFAOYSA-N
XLogP3.31
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 83177884
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[[[(1R)-1-(2-bromophenyl)ethyl]-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94841447
2-[(pent-1-yn-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106228957
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103949942
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 17423411) is 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(NCc1cc(=O)n2ccccc2n1)c1ccccc1Br.
What is the InChIKey of 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DYIULJJPJJHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-12(14-6-2-3-7-15(14)18)19-11-13-10-17(22)21-9-5-4-8-16(21)20-13/h2-10,12,19H,11H2,1H3.
What are the key properties of 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 358.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-bromophenyl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17423411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).