4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one

C26H24N4O3 — CID 136788283

IUPAC4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N/N=C\c3ccccc3OCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C26H24N4O3/c1-18-7-9-19(10-8-18)17-33-24-6-4-3-5-21(24)16-27-30-26-28-23(15-25(31)29-26)20-11-13-22(32-2)14-12-20/h3-16H,17H2,1-2H3,(H2,28,29,30,31)/b27-16-
InChIKeyOCTCYFIWPGLSDT-YUMHPJSZSA-N
MW440.50 g/mol
LogP4.78
Rot. Bonds8

About 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 136788283) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID136788283
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N/N=C\c3ccccc3OCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C26H24N4O3/c1-18-7-9-19(10-8-18)17-33-24-6-4-3-5-21(24)16-27-30-26-28-23(15-25(31)29-26)20-11-13-22(32-2)14-12-20/h3-16H,17H2,1-2H3,(H2,28,29,30,31)/b27-16-
InChIKeyOCTCYFIWPGLSDT-YUMHPJSZSA-N
XLogP4.78
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920913
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
2-[(2E)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733641
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788418
4-(4-methoxyphenyl)-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136788409
2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135611327
2-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168573372
2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788267
5-(2-hydroxyethyl)-4-methyl-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788572
2-[(2Z)-2-[2-(2-hexoxyphenyl)-2-oxoethylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788310
2-[(2Z)-2-[(2-bromo-3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788360
4-(4-fluorophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-oxo-1H-pyrimidine-6-carboxamide
CID 110525790

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 136788283) is 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(N/N=C\c3ccccc3OCc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is OCTCYFIWPGLSDT-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18-7-9-19(10-8-18)17-33-24-6-4-3-5-21(24)16-27-30-26-28-23(15-25(31)29-26)20-11-13-22(32-2)14-12-20/h3-16H,17H2,1-2H3,(H2,28,29,30,31)/b27-16-.
What are the key properties of 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 440.50 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 4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136788283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).