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

C18H16N4O3 — CID 135443067

IUPAC4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1cc(N/N=C/c2ccc(O)cc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H16N4O3/c1-11-8-17(21-18(20-11)14-4-2-3-5-15(14)24)22-19-10-12-6-7-13(23)9-16(12)25/h2-10,23-25H,1H3,(H,20,21,22)/b19-10+
InChIKeyFFAHRKFGUPZZHC-VXLYETTFSA-N
MW336.35 g/mol
LogP3.01
Rot. Bonds4

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

4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135443067) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135443067
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1cc(N/N=C/c2ccc(O)cc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H16N4O3/c1-11-8-17(21-18(20-11)14-4-2-3-5-15(14)24)22-19-10-12-6-7-13(23)9-16(12)25/h2-10,23-25H,1H3,(H,20,21,22)/b19-10+
InChIKeyFFAHRKFGUPZZHC-VXLYETTFSA-N
XLogP3.01
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.01
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
4-{4-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9665138
4-{(E)-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135411608
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
(6Z)-6-[4-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 659579

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol (CID 135443067) is 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol is Cc1cc(N/N=C/c2ccc(O)cc2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is FFAHRKFGUPZZHC-VXLYETTFSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-8-17(21-18(20-11)14-4-2-3-5-15(14)24)22-19-10-12-6-7-13(23)9-16(12)25/h2-10,23-25H,1H3,(H,20,21,22)/b19-10+.
What are the key properties of 4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 336.35 g/mol, XLogP of 3.01, 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]benzene-1,3-diol is sourced from PubChem (CID 135443067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).