2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

C23H20N4O — CID 1243067

IUPAC2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(NCc3ccccc3)c(/C=N/c3ccccc3)c(=O)n2c1
InChIInChI=1S/C23H20N4O/c1-17-12-13-21-26-22(25-14-18-8-4-2-5-9-18)20(23(28)27(21)16-17)15-24-19-10-6-3-7-11-19/h2-13,15-16,25H,14H2,1H3/b24-15+
InChIKeyGPSXXDPKNVJPQW-BUVRLJJBSA-N
MW368.44 g/mol
LogP4.37
Rot. Bonds5

About 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 1243067) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID1243067
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(NCc3ccccc3)c(/C=N/c3ccccc3)c(=O)n2c1
InChIInChI=1S/C23H20N4O/c1-17-12-13-21-26-22(25-14-18-8-4-2-5-9-18)20(23(28)27(21)16-17)15-24-19-10-6-3-7-11-19/h2-13,15-16,25H,14H2,1H3/b24-15+
InChIKeyGPSXXDPKNVJPQW-BUVRLJJBSA-N
XLogP4.37
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 1243067) is 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(NCc3ccccc3)c(/C=N/c3ccccc3)c(=O)n2c1.
What is the InChIKey of 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GPSXXDPKNVJPQW-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17-12-13-21-26-22(25-14-18-8-4-2-5-9-18)20(23(28)27(21)16-17)15-24-19-10-6-3-7-11-19/h2-13,15-16,25H,14H2,1H3/b24-15+.
What are the key properties of 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 1243067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).