4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine

C24H18BrClN4 — CID 2843777

IUPAC4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine
SMILESCN(N=Cc1ccccc1Cl)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C24H18BrClN4/c1-30(27-16-19-9-5-6-10-21(19)26)24-28-22(17-7-3-2-4-8-17)15-23(29-24)18-11-13-20(25)14-12-18/h2-16H,1H3
InChIKeyYXVMVNUPVZJREO-UHFFFAOYSA-N
MW477.79 g/mol
LogP6.70
Rot. Bonds5

About 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine

4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine (PubChem CID 2843777) has the molecular formula C24H18BrClN4 and a molecular weight of 477.79 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine
PubChem CID2843777
Molecular FormulaC24H18BrClN4
Molecular Weight477.79 g/mol
Exact Mass476.04
IUPAC Name4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine
SMILESCN(N=Cc1ccccc1Cl)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C24H18BrClN4/c1-30(27-16-19-9-5-6-10-21(19)26)24-28-22(17-7-3-2-4-8-17)15-23(29-24)18-11-13-20(25)14-12-18/h2-16H,1H3
InChIKeyYXVMVNUPVZJREO-UHFFFAOYSA-N
XLogP6.70
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.79
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
CID 135421596
N-[(E)-(2-fluorophenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 5338840
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-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837773
amino-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]cyanamide
CID 44550066
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 2841967
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
CID 135421739
2-(4-bromophenyl)-4-(4-methylphenyl)-6-phenylpyridine
CID 141475608

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine (CID 2843777) is 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine is CN(N=Cc1ccccc1Cl)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is YXVMVNUPVZJREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrClN4/c1-30(27-16-19-9-5-6-10-21(19)26)24-28-22(17-7-3-2-4-8-17)15-23(29-24)18-11-13-20(25)14-12-18/h2-16H,1H3.
What are the key properties of 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine?
4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine has a molecular weight of 477.79 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(2-chlorophenyl)methylideneamino]-N-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 2843777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).