4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol

C11H10ClN5O — CID 135460447

IUPAC4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESNc1c(Cl)ncnc1N/N=C/c1ccc(O)cc1
InChIInChI=1S/C11H10ClN5O/c12-10-9(13)11(15-6-14-10)17-16-5-7-1-3-8(18)4-2-7/h1-6,18H,13H2,(H,14,15,17)/b16-5+
InChIKeyNUYMHCMRDISAJL-FZSIALSZSA-N
MW263.69 g/mol
LogP1.86
Rot. Bonds3

About 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135460447) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135460447
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESNc1c(Cl)ncnc1N/N=C/c1ccc(O)cc1
InChIInChI=1S/C11H10ClN5O/c12-10-9(13)11(15-6-14-10)17-16-5-7-1-3-8(18)4-2-7/h1-6,18H,13H2,(H,14,15,17)/b16-5+
InChIKeyNUYMHCMRDISAJL-FZSIALSZSA-N
XLogP1.86
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol 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

4-[2-[(5-Amino-6-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 2037850
(E)-4-((2-(9H-purin-6-yl)hydrazono)methyl)phenol
CID 135439802
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
3-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 9685289
4-Hydroxybenzaldehyde (6-chloro-2-methyl-4-pyrimidinyl)hydrazone
CID 135504504
4-chloro-6-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]pyrimidin-5-amine
CID 9685297
4-[[2-(5-Bromopyrimidin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
CID 135421694
4-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135615761
2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137174985
4-[(E)-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazin-1-ylidene]methyl]phenol
CID 136670038
6-chloro-N4-[(3,4-dimethoxyphenyl)methylideneamino]pyrimidine-4,5-diamine
CID 4894174

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135460447) is 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol is Nc1c(Cl)ncnc1N/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NUYMHCMRDISAJL-FZSIALSZSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-10-9(13)11(15-6-14-10)17-16-5-7-1-3-8(18)4-2-7/h1-6,18H,13H2,(H,14,15,17)/b16-5+.
What are the key properties of 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 263.69 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135460447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).