4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol

C19H18N4O3 — CID 135443092

IUPAC4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(N/N=C/c2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H18N4O3/c1-11-9-17(22-19(21-11)14-5-3-4-6-16(14)25)23-20-10-13-7-8-15(24)12(2)18(13)26/h3-10,24-26H,1-2H3,(H,21,22,23)/b20-10+
InChIKeyRPAJLGIXQVWOSR-KEBDBYFISA-N
MW350.38 g/mol
LogP3.32
Rot. Bonds4

About 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol

4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol (PubChem CID 135443092) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
PubChem CID135443092
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(N/N=C/c2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H18N4O3/c1-11-9-17(22-19(21-11)14-5-3-4-6-16(14)25)23-20-10-13-7-8-15(24)12(2)18(13)26/h3-10,24-26H,1-2H3,(H,21,22,23)/b20-10+
InChIKeyRPAJLGIXQVWOSR-KEBDBYFISA-N
XLogP3.32
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol (CID 135443092) is 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol is Cc1cc(N/N=C/c2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The InChIKey is RPAJLGIXQVWOSR-KEBDBYFISA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-9-17(22-19(21-11)14-5-3-4-6-16(14)25)23-20-10-13-7-8-15(24)12(2)18(13)26/h3-10,24-26H,1-2H3,(H,21,22,23)/b20-10+.
What are the key properties of 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol has a molecular weight of 350.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 135443092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).