2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol

C24H20N4O3 — CID 3092883

IUPAC2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(C=NNc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c1O
InChIInChI=1S/C24H20N4O3/c1-31-22-13-7-10-17(23(22)30)15-25-28-24-26-19(16-8-3-2-4-9-16)14-20(27-24)18-11-5-6-12-21(18)29/h2-15,29-30H,1H3,(H,26,27,28)
InChIKeyIEAHOXKVVWETGN-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.68
Rot. Bonds6

About 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol

2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 3092883) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID3092883
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(C=NNc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c1O
InChIInChI=1S/C24H20N4O3/c1-31-22-13-7-10-17(23(22)30)15-25-28-24-26-19(16-8-3-2-4-9-16)14-20(27-24)18-11-5-6-12-21(18)29/h2-15,29-30H,1H3,(H,26,27,28)
InChIKeyIEAHOXKVVWETGN-UHFFFAOYSA-N
XLogP4.68
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.68
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 135458790
2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 2842336
2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 3092887
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 7204035
2-[(Z)-[[4-anilino-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 136700611
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842200
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol (CID 3092883) is 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(C=NNc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c1O.
What is the InChIKey of 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is IEAHOXKVVWETGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-22-13-7-10-17(23(22)30)15-25-28-24-26-19(16-8-3-2-4-9-16)14-20(27-24)18-11-5-6-12-21(18)29/h2-15,29-30H,1H3,(H,26,27,28).
What are the key properties of 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol?
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 412.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 3092883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).