4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol

C26H24N4O4 — CID 2867287

IUPAC4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(OC)c(OC)c3)n2)ccc1O
InChIInChI=1S/C26H24N4O4/c1-32-23-12-10-19(14-25(23)34-3)21-15-20(18-7-5-4-6-8-18)28-26(29-21)30-27-16-17-9-11-22(31)24(13-17)33-2/h4-16,31H,1-3H3,(H,28,29,30)
InChIKeyBEKNZTCZFAREDK-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.99
Rot. Bonds8

About 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol

4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 2867287) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID2867287
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(OC)c(OC)c3)n2)ccc1O
InChIInChI=1S/C26H24N4O4/c1-32-23-12-10-19(14-25(23)34-3)21-15-20(18-7-5-4-6-8-18)28-26(29-21)30-27-16-17-9-11-22(31)24(13-17)33-2/h4-16,31H,1-3H3,(H,28,29,30)
InChIKeyBEKNZTCZFAREDK-UHFFFAOYSA-N
XLogP4.99
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 3092892
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 5189695
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
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol
CID 135613084
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
2-ethoxy-4-[(E)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 135439780
4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 3726501
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol (CID 2867287) is 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(OC)c(OC)c3)n2)ccc1O.
What is the InChIKey of 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is BEKNZTCZFAREDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-32-23-12-10-19(14-25(23)34-3)21-15-20(18-7-5-4-6-8-18)28-26(29-21)30-27-16-17-9-11-22(31)24(13-17)33-2/h4-16,31H,1-3H3,(H,28,29,30).
What are the key properties of 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol?
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 456.50 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 2867287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).