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

C24H20N4O2 — CID 135425028

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

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

4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135425028) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135425028
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol
SMILESCN(/N=C\c1ccc(O)c(O)c1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H20N4O2/c1-28(25-16-17-12-13-22(29)23(30)14-17)24-26-20(18-8-4-2-5-9-18)15-21(27-24)19-10-6-3-7-11-19/h2-16,29-30H,1H3/b25-16-
InChIKeyGKOVHCFOVLXKFL-XYGWBWBKSA-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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
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-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135458671
4-[2-[[2-(2,2-Diphenylethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 44532334
4-(2-Amino-4-phenylpyrimidin-5-yl)benzene-1,2-diol
CID 134138658
2-Hydroxybenzaldehyde [2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinyl](methyl)hydrazone
CID 135403123
1-(4-Hydroxyphenyl)ethanone (2,6-diphenyl-4-pyrimidinyl)hydrazone
CID 135458768
4-[(4,6-Diphenyl-pyrimidin-2-yl)-methyl-hydrazonomethyl]-benzene-1,3-diol
CID 135498056
2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-methyl-6-phenylpyrimidine
CID 9622937
2-[4-[[(E)-Benzylideneamino]-methylamino]-6-methylpyrimidin-2-yl]phenol
CID 135403126
3-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]phenol
CID 9751794

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol (CID 135425028) is 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol is CN(/N=C\c1ccc(O)c(O)c1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is GKOVHCFOVLXKFL-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-28(25-16-17-12-13-22(29)23(30)14-17)24-26-20(18-8-4-2-5-9-18)15-21(27-24)19-10-6-3-7-11-19/h2-16,29-30H,1H3/b25-16-.
What are the key properties of 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol?
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-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-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135425028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).