2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol

C11H10N4O2 — CID 155529342

IUPAC2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol
SMILESOc1ccc(O)c(/C=N/Nc2ncccn2)c1
InChIInChI=1S/C11H10N4O2/c16-9-2-3-10(17)8(6-9)7-14-15-11-12-4-1-5-13-11/h1-7,16-17H,(H,12,13,15)/b14-7+
InChIKeyPSZVQHLGALEDQE-VGOFMYFVSA-N
MW230.23 g/mol
LogP1.33
Rot. Bonds3

About 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol

2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol (PubChem CID 155529342) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol
PubChem CID155529342
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol
SMILESOc1ccc(O)c(/C=N/Nc2ncccn2)c1
InChIInChI=1S/C11H10N4O2/c16-9-2-3-10(17)8(6-9)7-14-15-11-12-4-1-5-13-11/h1-7,16-17H,(H,12,13,15)/b14-7+
InChIKeyPSZVQHLGALEDQE-VGOFMYFVSA-N
XLogP1.33
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol
CID 10608757
4-[(E)-[(5-Bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135421695
2-[(6-Methoxy-pyrimidin-4-yl)-hydrazonomethyl]-phenol
CID 135421713
Phenol, 2-(2-pyrimidinyl)-
CID 598941
3-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]phenol
CID 9751794
4-[[2-(5-Bromopyrimidin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
CID 135421694
3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 155517100
2-[(2,4-Diaminopyrimidin-5-yl)methyl]phenol
CID 10703929
2-[(E)-[(4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136094093
2-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137225102
2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137174985

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol (CID 155529342) is 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol is Oc1ccc(O)c(/C=N/Nc2ncccn2)c1.
What is the InChIKey of 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol?
The InChIKey is PSZVQHLGALEDQE-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-9-2-3-10(17)8(6-9)7-14-15-11-12-4-1-5-13-11/h1-7,16-17H,(H,12,13,15)/b14-7+.
What are the key properties of 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol?
2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol has a molecular weight of 230.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,4-diol is sourced from PubChem (CID 155529342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).