4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C19H18N4O2 — CID 135437629

IUPAC4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(/C=N/Nc2nc(C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O2/c1-13-10-17(14-6-4-3-5-7-14)22-19(21-13)23-20-12-15-11-16(25-2)8-9-18(15)24/h3-12,24H,1-2H3,(H,21,22,23)/b20-12+
InChIKeyUXGXNUUESZOELL-UDWIEESQSA-N
MW334.38 g/mol
LogP3.61
Rot. Bonds5

About 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135437629) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135437629
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(/C=N/Nc2nc(C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O2/c1-13-10-17(14-6-4-3-5-7-14)22-19(21-13)23-20-12-15-11-16(25-2)8-9-18(15)24/h3-12,24H,1-2H3,(H,21,22,23)/b20-12+
InChIKeyUXGXNUUESZOELL-UDWIEESQSA-N
XLogP3.61
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
CID 25058133
5-[3-(2,5-Dimethoxyphenyl)prop-1-Yn-1-Yl]-6-Propylpyrimidine-2,4-Diamine
CID 25138224
N'-(2-hydroxy-3-methoxybenzylidene)-4,6-diphenyl-2-pyrimidinecarbohydrazide
CID 135425007
1-(4-Methoxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332849
4-{4-[(2E)-2-(2,5-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9655300
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508
4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135458671
2-[(E)-{2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]-4-methoxyphenol
CID 135490329
2-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenol
CID 135509970
2-(Methyloxy)benzaldehyde (4,6-dimethylpyrimidin-2-yl)hydrazone
CID 6866645
2-[2-Amino-5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
CID 341839

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135437629) is 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is COc1ccc(O)c(/C=N/Nc2nc(C)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is UXGXNUUESZOELL-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-10-17(14-6-4-3-5-7-14)22-19(21-13)23-20-12-15-11-16(25-2)8-9-18(15)24/h3-12,24H,1-2H3,(H,21,22,23)/b20-12+.
What are the key properties of 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 334.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135437629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).