4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

C19H23BrN6O3 — CID 2852856

IUPAC4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1C=NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23BrN6O3/c20-15-1-2-16(27)14(11-15)13-21-24-17-12-18(25-3-7-28-8-4-25)23-19(22-17)26-5-9-29-10-6-26/h1-2,11-13,27H,3-10H2,(H,22,23,24)
InChIKeyCFHYLHCTFIHLKB-UHFFFAOYSA-N
MW463.34 g/mol
LogP2.06
Rot. Bonds5

About 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 2852856) has the molecular formula C19H23BrN6O3 and a molecular weight of 463.34 g/mol. Its IUPAC name is 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID2852856
Molecular FormulaC19H23BrN6O3
Molecular Weight463.34 g/mol
Exact Mass462.10
IUPAC Name4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1C=NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23BrN6O3/c20-15-1-2-16(27)14(11-15)13-21-24-17-12-18(25-3-7-28-8-4-25)23-19(22-17)26-5-9-29-10-6-26/h1-2,11-13,27H,3-10H2,(H,22,23,24)
InChIKeyCFHYLHCTFIHLKB-UHFFFAOYSA-N
XLogP2.06
TPSA95.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[[(2,6-dimorpholin-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)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
4-bromo-2-[(E)-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135536456
2-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890
4-bromo-2-[(Z)-[[4-(4-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135909987
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
4-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135504388
4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795
4-bromo-2-[(Z)-[[4-(2-bromo-4-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136720904
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3504082
4-bromo-2-[(Z)-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136772688
2,4-dibromo-6-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135515693

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 2852856) is 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1C=NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is CFHYLHCTFIHLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN6O3/c20-15-1-2-16(27)14(11-15)13-21-24-17-12-18(25-3-7-28-8-4-25)23-19(22-17)26-5-9-29-10-6-26/h1-2,11-13,27H,3-10H2,(H,22,23,24).
What are the key properties of 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 463.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2852856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).