3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol

C24H21N7O2 — CID 139976250

IUPAC3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESOc1cccc(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3cccc(O)c3)n2)c1
InChIInChI=1S/C24H21N7O2/c32-20-10-4-6-17(12-20)15-25-30-23-14-22(27-19-8-2-1-3-9-19)28-24(29-23)31-26-16-18-7-5-11-21(33)13-18/h1-16,32-33H,(H3,27,28,29,30,31)
InChIKeyFTSLKZPKECISDW-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.52
Rot. Bonds8

About 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol

3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 139976250) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID139976250
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESOc1cccc(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3cccc(O)c3)n2)c1
InChIInChI=1S/C24H21N7O2/c32-20-10-4-6-17(12-20)15-25-30-23-14-22(27-19-8-2-1-3-9-19)28-24(29-23)31-26-16-18-7-5-11-21(33)13-18/h1-16,32-33H,(H3,27,28,29,30,31)
InChIKeyFTSLKZPKECISDW-UHFFFAOYSA-N
XLogP4.52
TPSA127.05 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol with MolForge

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Related Compounds

4-[[[6-anilino-2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-2,6-dimethylphenol
CID 139976192
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
6-N-phenyl-2-N,4-N-bis[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-2,4,6-triamine
CID 139976380
2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol
CID 139976285
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(3-methoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976692
2-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976959
2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796
3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid
CID 3381171
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
4-[[[2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]-2,6-dimethylphenol
CID 139976159
4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944
4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 2861744

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 139976250) is 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol is Oc1cccc(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3cccc(O)c3)n2)c1.
What is the InChIKey of 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is FTSLKZPKECISDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c32-20-10-4-6-17(12-20)15-25-30-23-14-22(27-19-8-2-1-3-9-19)28-24(29-23)31-26-16-18-7-5-11-21(33)13-18/h1-16,32-33H,(H3,27,28,29,30,31).
What are the key properties of 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 439.48 g/mol, XLogP of 4.52, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 139976250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).