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

C18H19N3O3 — CID 87029682

IUPAC2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCOc1cccc(NCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C18H19N3O3/c1-23-9-10-24-16-6-4-5-14(11-16)19-13-15-12-18(22)21-8-3-2-7-17(21)20-15/h2-8,11-12,19H,9-10,13H2,1H3
InChIKeyNNNMSEBYZBAHJJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.33
Rot. Bonds7

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

2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 87029682) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID87029682
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCOc1cccc(NCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C18H19N3O3/c1-23-9-10-24-16-6-4-5-14(11-16)19-13-15-12-18(22)21-8-3-2-7-17(21)20-15/h2-8,11-12,19H,9-10,13H2,1H3
InChIKeyNNNMSEBYZBAHJJ-UHFFFAOYSA-N
XLogP2.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.33
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

N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
2-[(3,4-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671061
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[[3-(2-methoxyethoxy)propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103605665
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
1-(2-methoxyphenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355912
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide
CID 86930979
2-[[3-(1-methyltriazol-4-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146143577
methyl 2-[[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355905
2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669698
2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62843274
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 87033232

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 87029682) is 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one is COCCOc1cccc(NCc2cc(=O)n3ccccc3n2)c1.
What is the InChIKey of 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NNNMSEBYZBAHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-9-10-24-16-6-4-5-14(11-16)19-13-15-12-18(22)21-8-3-2-7-17(21)20-15/h2-8,11-12,19H,9-10,13H2,1H3.
What are the key properties of 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 87029682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).