N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine

C26H24N4O2 — CID 2837790

IUPACN-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
SMILESCOc1ccc(C=NN(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C26H24N4O2/c1-30(27-18-21-14-15-22(31-2)16-25(21)32-3)26-28-23(19-10-6-4-7-11-19)17-24(29-26)20-12-8-5-9-13-20/h4-18H,1-3H3
InChIKeyRIFZSOXSHUJFIY-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.30
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine

N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine (PubChem CID 2837790) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
PubChem CID2837790
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
SMILESCOc1ccc(C=NN(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C26H24N4O2/c1-30(27-18-21-14-15-22(31-2)16-25(21)32-3)26-28-23(19-10-6-4-7-11-19)17-24(29-26)20-12-8-5-9-13-20/h4-18H,1-3H3
InChIKeyRIFZSOXSHUJFIY-UHFFFAOYSA-N
XLogP5.30
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine (CID 2837790) is N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine is COc1ccc(C=NN(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The InChIKey is RIFZSOXSHUJFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-30(27-18-21-14-15-22(31-2)16-25(21)32-3)26-28-23(19-10-6-4-7-11-19)17-24(29-26)20-12-8-5-9-13-20/h4-18H,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine has a molecular weight of 424.50 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine is sourced from PubChem (CID 2837790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).