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

C19H18N4O3 — CID 3091223

IUPAC4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(NN=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/h3-10,24-26H,1-2H3,(H,21,22,23)
InChIKeyRPAJLGIXQVWOSR-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.32
Rot. Bonds4

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

4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol (PubChem CID 3091223) 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]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
PubChem CID3091223
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
SMILESCc1cc(NN=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/h3-10,24-26H,1-2H3,(H,21,22,23)
InChIKeyRPAJLGIXQVWOSR-UHFFFAOYSA-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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Related Compounds

4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-[(6-Chloro-2-methyl-pyrimidin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135536449
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508
2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
CID 135549744
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
4-[(E)-{2-[2-(pyridin-3-yl)quinazolin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650675
2-methyl-4-[(E)-{(2E)-[2-(pyridin-3-yl)quinazolin-4(3H)-ylidene]hydrazinylidene}methyl]benzene-1,3-diol
CID 135651038
2-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3099296
2-Hydroxybenzaldehyde [2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinyl](methyl)hydrazone
CID 135403123
(E)-2-(4-(2-(2-hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-2-yl)phenol
CID 135443066

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol (CID 3091223) is 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol is Cc1cc(NN=Cc2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
The InChIKey is RPAJLGIXQVWOSR-UHFFFAOYSA-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).
What are the key properties of 4-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol?
4-[[[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-[[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 3091223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).