2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

C22H24N4O2 — CID 135472546

IUPAC2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCCCCOc1ccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-4-13-28-18-11-9-17(10-12-18)15-23-26-21-14-16(2)24-22(25-21)19-7-5-6-8-20(19)27/h5-12,14-15,27H,3-4,13H2,1-2H3,(H,24,25,26)/b23-15+
InChIKeyVJVNVBSOPJUHJQ-HZHRSRAPSA-N
MW376.46 g/mol
LogP4.78
Rot. Bonds8

About 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 135472546) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
PubChem CID135472546
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCCCCOc1ccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-4-13-28-18-11-9-17(10-12-18)15-23-26-21-14-16(2)24-22(25-21)19-7-5-6-8-20(19)27/h5-12,14-15,27H,3-4,13H2,1-2H3,(H,24,25,26)/b23-15+
InChIKeyVJVNVBSOPJUHJQ-HZHRSRAPSA-N
XLogP4.78
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541
2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135443069
N-[(4-butoxyphenyl)methylideneamino]-6-chloro-2-methylpyrimidin-4-amine
CID 2841999
4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
CID 135854092
N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842180
N-[(4-heptoxyphenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 3146370
2,4-dibromo-6-[4-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536503
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
2-[(E)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-5-propoxyphenol
CID 135495747
4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136726343
2,4-dibromo-6-[4-[(2E)-2-[(4-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536505
6-bromo-N-[(E)-(4-butoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
CID 155927940

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (CID 135472546) is 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is CCCCOc1ccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is VJVNVBSOPJUHJQ-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-4-13-28-18-11-9-17(10-12-18)15-23-26-21-14-16(2)24-22(25-21)19-7-5-6-8-20(19)27/h5-12,14-15,27H,3-4,13H2,1-2H3,(H,24,25,26)/b23-15+.
What are the key properties of 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 376.46 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 135472546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).