9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one

C18H18N4O — CID 764885

IUPAC9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(C)cc1
InChIInChI=1S/C18H18N4O/c1-12-6-8-14(9-7-12)20-11-15-16(19-3)21-17-13(2)5-4-10-22(17)18(15)23/h4-11,19H,1-3H3/b20-11+
InChIKeyBLXOJORLYGDFBY-RGVLZGJSSA-N
MW306.37 g/mol
LogP3.10
Rot. Bonds3

About 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 764885) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID764885
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(C)cc1
InChIInChI=1S/C18H18N4O/c1-12-6-8-14(9-7-12)20-11-15-16(19-3)21-17-13(2)5-4-10-22(17)18(15)23/h4-11,19H,1-3H3/b20-11+
InChIKeyBLXOJORLYGDFBY-RGVLZGJSSA-N
XLogP3.10
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.10
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 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one (CID 764885) is 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one is CNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(C)cc1.
What is the InChIKey of 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BLXOJORLYGDFBY-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-6-8-14(9-7-12)20-11-15-16(19-3)21-17-13(2)5-4-10-22(17)18(15)23/h4-11,19H,1-3H3/b20-11+.
What are the key properties of 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(methylamino)-3-[(4-methylphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 764885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).