N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine

C26H24N4O2 — CID 2837773

IUPACN-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
SMILESCOc1ccc(C=NN(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C26H24N4O2/c1-30(27-18-19-14-15-24(31-2)25(16-19)32-3)26-28-22(20-10-6-4-7-11-20)17-23(29-26)21-12-8-5-9-13-21/h4-18H,1-3H3
InChIKeyVWVQBQCIALUKJM-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.30
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine

N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine (PubChem CID 2837773) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
PubChem CID2837773
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
SMILESCOc1ccc(C=NN(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C26H24N4O2/c1-30(27-18-19-14-15-24(31-2)25(16-19)32-3)26-28-22(20-10-6-4-7-11-20)17-23(29-26)21-12-8-5-9-13-21/h4-18H,1-3H3
InChIKeyVWVQBQCIALUKJM-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'}

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Related Compounds

4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol;ethene
CID 145418854
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol
CID 172961038
N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 5338840
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 5189695
4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
CID 135421596
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine
CID 2843777

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine (CID 2837773) is N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine is COc1ccc(C=NN(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
The InChIKey is VWVQBQCIALUKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-30(27-18-19-14-15-24(31-2)25(16-19)32-3)26-28-22(20-10-6-4-7-11-20)17-23(29-26)21-12-8-5-9-13-21/h4-18H,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine?
N-[(3,4-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-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine is sourced from PubChem (CID 2837773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).