2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol

C25H22N4O2 — CID 135822458

IUPAC2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C25H22N4O2/c1-2-31-21-14-13-20(24(30)15-21)17-26-29-25-27-22(18-9-5-3-6-10-18)16-23(28-25)19-11-7-4-8-12-19/h3-17,30H,2H2,1H3,(H,27,28,29)/b26-17+
InChIKeyQHSDQHPILHCVPK-YZSQISJMSA-N
MW410.48 g/mol
LogP5.36
Rot. Bonds7

About 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol

2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol (PubChem CID 135822458) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
PubChem CID135822458
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1
InChIInChI=1S/C25H22N4O2/c1-2-31-21-14-13-20(24(30)15-21)17-26-29-25-27-22(18-9-5-3-6-10-18)16-23(28-25)19-11-7-4-8-12-19/h3-17,30H,2H2,1H3,(H,27,28,29)/b26-17+
InChIKeyQHSDQHPILHCVPK-YZSQISJMSA-N
XLogP5.36
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590241
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135616077
5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135676045
2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 3099406
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 94841954
2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-(2,2,2-trifluoroethoxy)phenol
CID 168578044
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4674688
2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 135458790
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842200
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol?
The IUPAC name of 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol (CID 135822458) is 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol.
What is the SMILES notation for 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol?
The canonical SMILES for 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol is CCOc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1.
What is the InChIKey of 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol?
The InChIKey is QHSDQHPILHCVPK-YZSQISJMSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-2-31-21-14-13-20(24(30)15-21)17-26-29-25-27-22(18-9-5-3-6-10-18)16-23(28-25)19-11-7-4-8-12-19/h3-17,30H,2H2,1H3,(H,27,28,29)/b26-17+.
What are the key properties of 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol?
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol has a molecular weight of 410.48 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol is sourced from PubChem (CID 135822458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).