2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol

C19H18N4O2 — CID 135403123

IUPAC2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol
SMILESCc1cc(N(C)/N=C/c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H18N4O2/c1-13-11-18(22-19(21-13)15-8-4-6-10-17(15)25)23(2)20-12-14-7-3-5-9-16(14)24/h3-12,24-25H,1-2H3/b20-12+
InChIKeyMGZJSZRKDXNQNZ-UDWIEESQSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds4

About 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol

2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol (PubChem CID 135403123) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol
PubChem CID135403123
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol
SMILESCc1cc(N(C)/N=C/c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H18N4O2/c1-13-11-18(22-19(21-13)15-8-4-6-10-17(15)25)23(2)20-12-14-7-3-5-9-16(14)24/h3-12,24-25H,1-2H3/b20-12+
InChIKeyMGZJSZRKDXNQNZ-UDWIEESQSA-N
XLogP3.33
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.33
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'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol (CID 135403123) is 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol is Cc1cc(N(C)/N=C/c2ccccc2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol?
The InChIKey is MGZJSZRKDXNQNZ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-11-18(22-19(21-13)15-8-4-6-10-17(15)25)23(2)20-12-14-7-3-5-9-16(14)24/h3-12,24-25H,1-2H3/b20-12+.
What are the key properties of 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol?
2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol has a molecular weight of 334.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]-methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 135403123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).