2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol

C19H18N4O3 — CID 135455061

IUPAC2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c1O
InChIInChI=1S/C19H18N4O3/c1-12-10-17(22-19(21-12)14-7-3-4-8-15(14)24)23-20-11-13-6-5-9-16(26-2)18(13)25/h3-11,24-25H,1-2H3,(H,21,22,23)/b20-11+
InChIKeyNVWKNYCCCLJTGO-RGVLZGJSSA-N
MW350.38 g/mol
LogP3.32
Rot. Bonds5

About 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol

2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135455061) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135455061
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c1O
InChIInChI=1S/C19H18N4O3/c1-12-10-17(22-19(21-12)14-7-3-4-8-15(14)24)23-20-11-13-6-5-9-16(26-2)18(13)25/h3-11,24-25H,1-2H3,(H,21,22,23)/b20-11+
InChIKeyNVWKNYCCCLJTGO-RGVLZGJSSA-N
XLogP3.32
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-methoxy-6-((2-(2-(pyridin-3-yl)quinazolin-4-yl)hydrazono)methyl)phenol
CID 135541840
N'-(2-hydroxy-3-methoxybenzylidene)-4,6-diphenyl-2-pyrimidinecarbohydrazide
CID 135425007
(6E)-2-methoxy-6-[4-(2-methylpiperidin-1-yl)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 661819
2-Methoxy-6-(4-(pyrrolidin-1-yl)quinazolin-2-yl)phenol
CID 934651
2-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
2-Hydroxy-5-methoxybenzaldehyde (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437629
4-[(E)-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene}methyl]-2-ethoxyphenol
CID 135641513
4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135458671
2-[(E)-{2-[4-(3,5-Dimethyl-1H-pyrazol-1-YL)-6-(phenylamino)-1,3,5-triazin-2-YL]hydrazin-1-ylidene}methyl]-4-methoxyphenol
CID 135490329
N-{4-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}benzenesulfonamide
CID 135549525
2-methoxy-6-[4-(4-methyl-1-piperazinyl)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
CID 1384428
2-[4-(Butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol
CID 661767

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol (CID 135455061) is 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c1O.
What is the InChIKey of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is NVWKNYCCCLJTGO-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-10-17(22-19(21-12)14-7-3-4-8-15(14)24)23-20-11-13-6-5-9-16(26-2)18(13)25/h3-11,24-25H,1-2H3,(H,21,22,23)/b20-11+.
What are the key properties of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol?
2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 350.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135455061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).