4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

C15H16BrN5O2 — CID 135822053

IUPAC4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C15H16BrN5O2/c16-12-1-2-13(22)11(7-12)9-19-20-14-8-15(18-10-17-14)21-3-5-23-6-4-21/h1-2,7-10,22H,3-6H2,(H,17,18,20)/b19-9+
InChIKeyKINJFLKFVXJPGE-DJKKODMXSA-N
MW378.23 g/mol
LogP2.23
Rot. Bonds4

About 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135822053) has the molecular formula C15H16BrN5O2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135822053
Molecular FormulaC15H16BrN5O2
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC Name4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C15H16BrN5O2/c16-12-1-2-13(22)11(7-12)9-19-20-14-8-15(18-10-17-14)21-3-5-23-6-4-21/h1-2,7-10,22H,3-6H2,(H,17,18,20)/b19-9+
InChIKeyKINJFLKFVXJPGE-DJKKODMXSA-N
XLogP2.23
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-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-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
CID 135549744
4-{1-[(6-Morpholin-4-yl-pyrimidin-4-yl)-hydrazono]-ethyl}-phenol
CID 135443115
3-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 5340280
(E)-2-((2-(5-fluoro-4-morpholinopyrimidin-2-yl)hydrazono)methyl)phenol
CID 135487489
4-[(E)-{2-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135501770
2-[(E)-[(4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136094093
2-[(Z)-{2-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]hydrazinylidene}methyl]phenol
CID 135628177
2-[(E)-{2-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135515681
2-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136445552
2,6-Dibromo-4-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 3456586
4-bromo-2-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135504390

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135822053) is 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is KINJFLKFVXJPGE-DJKKODMXSA-N. The full InChI is InChI=1S/C15H16BrN5O2/c16-12-1-2-13(22)11(7-12)9-19-20-14-8-15(18-10-17-14)21-3-5-23-6-4-21/h1-2,7-10,22H,3-6H2,(H,17,18,20)/b19-9+.
What are the key properties of 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 378.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135822053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).