4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol

C25H22N4O2 — CID 137251415

IUPAC4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C25H22N4O2/c1-29(26-17-18-13-14-23(30)24(15-18)31-2)25-27-21(19-9-5-3-6-10-19)16-22(28-25)20-11-7-4-8-12-20/h3-17,30H,1-2H3/b26-17-
InChIKeyHJTRFGGJZMKCNE-ONUIUJJFSA-N
MW410.48 g/mol
LogP5.00
Rot. Bonds6

About 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol

4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 137251415) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
PubChem CID137251415
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C25H22N4O2/c1-29(26-17-18-13-14-23(30)24(15-18)31-2)25-27-21(19-9-5-3-6-10-19)16-22(28-25)20-11-7-4-8-12-20/h3-17,30H,1-2H3/b26-17-
InChIKeyHJTRFGGJZMKCNE-ONUIUJJFSA-N
XLogP5.00
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837773
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol;ethene
CID 145418854
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
CID 135421596
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
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
4-[(E)-(5,6-diphenyl-1,2,4-triazin-3-yl)iminomethyl]-2-methoxyphenol
CID 139228404
2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol
CID 135613084
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
2,6-dimethoxy-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135779670
4-[[2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-2-methylhydrazinyl]methyl]-2-methoxyphenol
CID 154606219
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol (CID 137251415) is 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)ccc1O.
What is the InChIKey of 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is HJTRFGGJZMKCNE-ONUIUJJFSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-29(26-17-18-13-14-23(30)24(15-18)31-2)25-27-21(19-9-5-3-6-10-19)16-22(28-25)20-11-7-4-8-12-20/h3-17,30H,1-2H3/b26-17-.
What are the key properties of 4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol?
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 410.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 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]-2-methoxyphenol is sourced from PubChem (CID 137251415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).