4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol

C24H20N4O2 — CID 135498056

IUPAC4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESCN(/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H20N4O2/c1-28(25-16-19-12-13-20(29)14-23(19)30)24-26-21(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-16,29-30H,1H3/b25-16+
InChIKeyUNVYPRQZSMDVIN-PCLIKHOPSA-N
MW396.45 g/mol
LogP4.69
Rot. Bonds5

About 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135498056) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135498056
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESCN(/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H20N4O2/c1-28(25-16-19-12-13-20(29)14-23(19)30)24-26-21(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-16,29-30H,1H3/b25-16+
InChIKeyUNVYPRQZSMDVIN-PCLIKHOPSA-N
XLogP4.69
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
3,4-Dihydroxybenzaldehyde (4,6-diphenyl-2-pyrimidinyl)(methyl)hydrazone
CID 135425028
2-Hydroxybenzaldehyde [2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinyl](methyl)hydrazone
CID 135403123
(E)-2-(4-(2-(2-hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-2-yl)phenol
CID 135443066
4-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-benzene-1,3-diol
CID 135443067
1-(4-Hydroxyphenyl)ethanone (2,6-diphenyl-4-pyrimidinyl)hydrazone
CID 135458768
2-[4-(N'-Benzylidene-hydrazino)-6-methyl-pyrimidin-2-yl]-phenol
CID 135498026
4-[(E)-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135517105

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol (CID 135498056) is 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol is CN(/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is UNVYPRQZSMDVIN-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-28(25-16-19-12-13-20(29)14-23(19)30)24-26-21(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-16,29-30H,1H3/b25-16+.
What are the key properties of 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 396.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135498056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).