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

C19H18N4O3 — CID 136664462

IUPAC4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(/N=N/Cc2ccc(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/h3-9,24-26H,10H2,1-2H3/b23-20+
InChIKeyRJNYBIJZVJEFKP-BSYVCWPDSA-N
MW350.38 g/mol
LogP4.16
Rot. Bonds4

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

4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol (PubChem CID 136664462) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol
PubChem CID136664462
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(/N=N/Cc2ccc(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/h3-9,24-26H,10H2,1-2H3/b23-20+
InChIKeyRJNYBIJZVJEFKP-BSYVCWPDSA-N
XLogP4.16
TPSA111.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol 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 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol (CID 136664462) is 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol is Cc1cc(/N=N/Cc2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol?
The InChIKey is RJNYBIJZVJEFKP-BSYVCWPDSA-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/h3-9,24-26H,10H2,1-2H3/b23-20+.
What are the key properties of 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol?
4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol has a molecular weight of 350.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]diazenyl]methyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 136664462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).