3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one

C22H20N4O2 — CID 3580649

IUPAC3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCc3ccco3)nc12
InChIInChI=1S/C22H20N4O2/c1-16-7-5-11-26-21(16)25-20(24-14-18-10-6-12-28-18)19(22(26)27)15-23-13-17-8-3-2-4-9-17/h2-12,15,24H,13-14H2,1H3/b23-15+
InChIKeyZPYWZIVVBOJDQE-HZHRSRAPSA-N
MW372.43 g/mol
LogP3.83
Rot. Bonds6

About 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one

3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 3580649) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID3580649
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCc3ccco3)nc12
InChIInChI=1S/C22H20N4O2/c1-16-7-5-11-26-21(16)25-20(24-14-18-10-6-12-28-18)19(22(26)27)15-23-13-17-8-3-2-4-9-17/h2-12,15,24H,13-14H2,1H3/b23-15+
InChIKeyZPYWZIVVBOJDQE-HZHRSRAPSA-N
XLogP3.83
TPSA71.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 3580649) is 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCc3ccco3)nc12.
What is the InChIKey of 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZPYWZIVVBOJDQE-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-16-7-5-11-26-21(16)25-20(24-14-18-10-6-12-28-18)19(22(26)27)15-23-13-17-8-3-2-4-9-17/h2-12,15,24H,13-14H2,1H3/b23-15+.
What are the key properties of 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one?
3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 372.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzyliminomethyl)-2-(furan-2-ylmethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3580649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).