2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol

C13H13ClN4O2 — CID 135452765

IUPAC2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2cc(Cl)nc(C)n2)c1O
InChIInChI=1S/C13H13ClN4O2/c1-8-16-11(14)6-12(17-8)18-15-7-9-4-3-5-10(20-2)13(9)19/h3-7,19H,1-2H3,(H,16,17,18)/b15-7+
InChIKeyNHEZCOHEPWSEMW-VIZOYTHASA-N
MW292.73 g/mol
LogP2.60
Rot. Bonds4

About 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol

2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135452765) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135452765
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2cc(Cl)nc(C)n2)c1O
InChIInChI=1S/C13H13ClN4O2/c1-8-16-11(14)6-12(17-8)18-15-7-9-4-3-5-10(20-2)13(9)19/h3-7,19H,1-2H3,(H,16,17,18)/b15-7+
InChIKeyNHEZCOHEPWSEMW-VIZOYTHASA-N
XLogP2.60
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol 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-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135458671
2-[(6-Methoxy-pyrimidin-4-yl)-hydrazonomethyl]-phenol
CID 135421713
(E)-2-((2-(2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl)hydrazono)methyl)-6-methoxyphenol
CID 135455061
4-[(5-Amino-6-chloro-pyrimidin-4-yl)-hydrazonomethyl]-2-ethoxy-phenol
CID 135497937
2-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}-6-methoxyphenol
CID 135521558
4-Hydroxybenzaldehyde (6-chloro-2-methyl-4-pyrimidinyl)hydrazone
CID 135504504
4-{(E)-[2-(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl}-2-methoxyphenol
CID 135648201
3,4-Dimethoxybenzaldehyde (4-amino-6-chloro-2-pyrimidinyl)hydrazone
CID 9590952
2-[(E)-{(2Z)-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2(1H)-ylidene]hydrazinylidene}methyl]-6-methoxyphenol
CID 135549748
2-[[(5-Amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 4885862
2-((1E)-2-{[6-(4-methylpyrazolyl)pyrimidin-4-yl]amino}-2-azavinyl)-6-methoxyph enol
CID 135536475

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol (CID 135452765) is 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N/Nc2cc(Cl)nc(C)n2)c1O.
What is the InChIKey of 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is NHEZCOHEPWSEMW-VIZOYTHASA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-8-16-11(14)6-12(17-8)18-15-7-9-4-3-5-10(20-2)13(9)19/h3-7,19H,1-2H3,(H,16,17,18)/b15-7+.
What are the key properties of 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol?
2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 292.73 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135452765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).