2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol

C11H10N4O — CID 137225103

IUPAC2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ncccn1
InChIInChI=1S/C11H10N4O/c16-10-5-2-1-4-9(10)8-14-15-11-12-6-3-7-13-11/h1-8,16H,(H,12,13,15)/b14-8+
InChIKeyQESFCHXZYPIKAT-RIYZIHGNSA-N
MW214.23 g/mol
LogP1.63
Rot. Bonds3

About 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol

2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 137225103) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
PubChem CID137225103
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ncccn1
InChIInChI=1S/C11H10N4O/c16-10-5-2-1-4-9(10)8-14-15-11-12-6-3-7-13-11/h1-8,16H,(H,12,13,15)/b14-8+
InChIKeyQESFCHXZYPIKAT-RIYZIHGNSA-N
XLogP1.63
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
Phenol, 4-[(2,4-diamino-5-pyrimidinyl)methyl]-
CID 13112727
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-dimethylphenol
CID 13112728
2,4-Diamino-5-(3,5-diethyl-4-hydroxybenzyl)pyrimidine
CID 13112734
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol
CID 13112736
4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-phenol
CID 13112738
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-bis(prop-2-enyl)phenol
CID 14570148
2-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3099296
3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol
CID 10608757
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-ethyl-6-methylphenol
CID 13112730
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-prop-2-enyl-6-propylphenol
CID 13953689
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-prop-2-enylphenol
CID 14570146

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol (CID 137225103) is 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol is Oc1ccccc1/C=N/Nc1ncccn1.
What is the InChIKey of 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is QESFCHXZYPIKAT-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H10N4O/c16-10-5-2-1-4-9(10)8-14-15-11-12-6-3-7-13-11/h1-8,16H,(H,12,13,15)/b14-8+.
What are the key properties of 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol?
2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 214.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 137225103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).