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

C11H13N3O2 — CID 60702906

IUPAC2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCONCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C11H13N3O2/c1-2-16-12-8-9-7-11(15)14-6-4-3-5-10(14)13-9/h3-7,12H,2,8H2,1H3
InChIKeyZXPLGBIRTAVYEB-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.74
Rot. Bonds4

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

2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60702906) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60702906
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCONCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C11H13N3O2/c1-2-16-12-8-9-7-11(15)14-6-4-3-5-10(14)13-9/h3-7,12H,2,8H2,1H3
InChIKeyZXPLGBIRTAVYEB-UHFFFAOYSA-N
XLogP0.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
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
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 114108156
2-[[(3-ethyl-1-hydroxypentan-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 167978114
2-[(pent-1-yn-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106228957
2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103605665

Frequently Asked Questions

What is the IUPAC name of 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60702906) is 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CCONCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZXPLGBIRTAVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-12-8-9-7-11(15)14-6-4-3-5-10(14)13-9/h3-7,12H,2,8H2,1H3.
What are the key properties of 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 219.24 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60702906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).