2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C26H26N4O — CID 4080507

IUPAC2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(/N=C/c2c(Nc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c(C)c1
InChIInChI=1S/C26H26N4O/c1-16-8-10-22(19(4)13-16)27-15-21-24(28-23-11-9-17(2)14-20(23)5)29-25-18(3)7-6-12-30(25)26(21)31/h6-15,28H,1-5H3/b27-15+
InChIKeyAVCIIYWHSUXNLV-JFLMPSFJSA-N
MW410.52 g/mol
LogP5.73
Rot. Bonds4

About 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 4080507) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID4080507
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(/N=C/c2c(Nc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c(C)c1
InChIInChI=1S/C26H26N4O/c1-16-8-10-22(19(4)13-16)27-15-21-24(28-23-11-9-17(2)14-20(23)5)29-25-18(3)7-6-12-30(25)26(21)31/h6-15,28H,1-5H3/b27-15+
InChIKeyAVCIIYWHSUXNLV-JFLMPSFJSA-N
XLogP5.73
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 15992185
3-[(Z)-hydroxyiminomethyl]-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
CID 136851982
3-(butan-2-yliminomethyl)-2-(3-chloroanilino)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 21237341
9-methyl-2-[(4-methylphenyl)methylamino]-3-[(4-methylphenyl)methyliminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 2149733
2-(2-hydroxyethylamino)-3-[(Z)-hydroxyiminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 136904756
2-(3-fluoroanilino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 53330912
9-methyl-3-(phenyliminomethyl)-2-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
CID 21178542
2-(furan-2-ylmethylamino)-3-(furan-2-ylmethyliminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 2853421
2-[(4-methoxyphenyl)methylamino]-3-[(4-methoxyphenyl)methyliminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 1189624
3-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-(2-hydroxyethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 136836647
3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-(2-hydroxyethylamino)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 135684510
2-(2-fluoroanilino)-9-methyl-3-(nitrosomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 91897489

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 4080507) is 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(/N=C/c2c(Nc3ccc(C)cc3C)nc3c(C)cccn3c2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AVCIIYWHSUXNLV-JFLMPSFJSA-N. The full InChI is InChI=1S/C26H26N4O/c1-16-8-10-22(19(4)13-16)27-15-21-24(28-23-11-9-17(2)14-20(23)5)29-25-18(3)7-6-12-30(25)26(21)31/h6-15,28H,1-5H3/b27-15+.
What are the key properties of 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 410.52 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-3-[(2,4-dimethylphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 4080507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).