2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H21N3O3 — CID 103605665

IUPAC2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCOCCCNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H21N3O3/c1-20-9-10-21-8-4-6-16-12-13-11-15(19)18-7-3-2-5-14(18)17-13/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3
InChIKeyXDWBLWVYIXXRHL-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.84
Rot. Bonds9

About 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 103605665) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID103605665
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCOCCCNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H21N3O3/c1-20-9-10-21-8-4-6-16-12-13-11-15(19)18-7-3-2-5-14(18)17-13/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3
InChIKeyXDWBLWVYIXXRHL-UHFFFAOYSA-N
XLogP0.84
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62843274
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60698046
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048
3-(2-methoxyethoxy)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 43770876
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
CID 83121210
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
2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 87029682
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106104512
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 103605665) is 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is COCCOCCCNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XDWBLWVYIXXRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-20-9-10-21-8-4-6-16-12-13-11-15(19)18-7-3-2-5-14(18)17-13/h2-3,5,7,11,16H,4,6,8-10,12H2,1H3.
What are the key properties of 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 291.35 g/mol, XLogP of 0.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 103605665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).