2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

C15H20N4O3 — CID 3114614

IUPAC2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCC/N=C/c1c(NCCOC)nc2ccccn2c1=O
InChIInChI=1S/C15H20N4O3/c1-21-9-6-16-11-12-14(17-7-10-22-2)18-13-5-3-4-8-19(13)15(12)20/h3-5,8,11,17H,6-7,9-10H2,1-2H3/b16-11+
InChIKeyHARDVTHRGIHBJA-LFIBNONCSA-N
MW304.35 g/mol
LogP0.82
Rot. Bonds8

About 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 3114614) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID3114614
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCC/N=C/c1c(NCCOC)nc2ccccn2c1=O
InChIInChI=1S/C15H20N4O3/c1-21-9-6-16-11-12-14(17-7-10-22-2)18-13-5-3-4-8-19(13)15(12)20/h3-5,8,11,17H,6-7,9-10H2,1-2H3/b16-11+
InChIKeyHARDVTHRGIHBJA-LFIBNONCSA-N
XLogP0.82
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 3114614) is 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is COCC/N=C/c1c(NCCOC)nc2ccccn2c1=O.
What is the InChIKey of 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HARDVTHRGIHBJA-LFIBNONCSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-21-9-6-16-11-12-14(17-7-10-22-2)18-13-5-3-4-8-19(13)15(12)20/h3-5,8,11,17H,6-7,9-10H2,1-2H3/b16-11+.
What are the key properties of 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 304.35 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-3-(2-methoxyethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3114614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).