2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

C23H17BrN4O — CID 135907237

IUPAC2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N\Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C23H17BrN4O/c24-19-12-10-17(11-13-19)23-26-20(16-6-2-1-3-7-16)14-22(27-23)28-25-15-18-8-4-5-9-21(18)29/h1-15,29H,(H,26,27,28)/b25-15-
InChIKeyZCAMFPAAPBLIEH-MYYYXRDXSA-N
MW445.32 g/mol
LogP5.72
Rot. Bonds5

About 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 135907237) has the molecular formula C23H17BrN4O and a molecular weight of 445.32 g/mol. Its IUPAC name is 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID135907237
Molecular FormulaC23H17BrN4O
Molecular Weight445.32 g/mol
Exact Mass444.06
IUPAC Name2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N\Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C23H17BrN4O/c24-19-12-10-17(11-13-19)23-26-20(16-6-2-1-3-7-16)14-22(27-23)28-25-15-18-8-4-5-9-21(18)29/h1-15,29H,(H,26,27,28)/b25-15-
InChIKeyZCAMFPAAPBLIEH-MYYYXRDXSA-N
XLogP5.72
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.32
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
2-(4-bromophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]-6-phenylpyrimidin-4-amine
CID 5338828
4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762
4-[N-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]amino]-C-methylcarbonimidoyl]-2-methylphenol
CID 3091873
N-[(E)-(3-fluorophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5332811
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-4,6-dichlorophenol
CID 135421739
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-[(E)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-5-propoxyphenol
CID 135495747
4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136690415
N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 2841967

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 135907237) is 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N\Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is ZCAMFPAAPBLIEH-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H17BrN4O/c24-19-12-10-17(11-13-19)23-26-20(16-6-2-1-3-7-16)14-22(27-23)28-25-15-18-8-4-5-9-21(18)29/h1-15,29H,(H,26,27,28)/b25-15-.
What are the key properties of 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 445.32 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135907237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).