2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C13H12Br2N4O — CID 136803392

IUPAC2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(C)nc(N/N=C\c2cc(Br)c(O)c(Br)c2)n1
InChIInChI=1S/C13H12Br2N4O/c1-7-3-8(2)18-13(17-7)19-16-6-9-4-10(14)12(20)11(15)5-9/h3-6,20H,1-2H3,(H,17,18,19)/b16-6-
InChIKeyGPSAZPLLFMJFSF-SOFYXZRVSA-N
MW400.07 g/mol
LogP3.77
Rot. Bonds3

About 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 136803392) has the molecular formula C13H12Br2N4O and a molecular weight of 400.07 g/mol. Its IUPAC name is 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID136803392
Molecular FormulaC13H12Br2N4O
Molecular Weight400.07 g/mol
Exact Mass397.94
IUPAC Name2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(C)nc(N/N=C\c2cc(Br)c(O)c(Br)c2)n1
InChIInChI=1S/C13H12Br2N4O/c1-7-3-8(2)18-13(17-7)19-16-6-9-4-10(14)12(20)11(15)5-9/h3-6,20H,1-2H3,(H,17,18,19)/b16-6-
InChIKeyGPSAZPLLFMJFSF-SOFYXZRVSA-N
XLogP3.77
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135736398
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886
4-bromo-2-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 4244298
5-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 136853969
N-[2-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 2334192
2,6-dibromo-4-[(E)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135504322
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013436
2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol
CID 135676034
N-[(Z)-[4-(2,2-difluoroethoxy)phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6163671
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 136803392) is 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Cc1cc(C)nc(N/N=C\c2cc(Br)c(O)c(Br)c2)n1.
What is the InChIKey of 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is GPSAZPLLFMJFSF-SOFYXZRVSA-N. The full InChI is InChI=1S/C13H12Br2N4O/c1-7-3-8(2)18-13(17-7)19-16-6-9-4-10(14)12(20)11(15)5-9/h3-6,20H,1-2H3,(H,17,18,19)/b16-6-.
What are the key properties of 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 400.07 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136803392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).