2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

C18H14ClFN4O2 — CID 136788333

IUPAC2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N/N=C\c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-26-12-7-5-11(6-8-12)16-9-17(25)23-18(22-16)24-21-10-13-14(19)3-2-4-15(13)20/h2-10H,1H3,(H2,22,23,24,25)/b21-10-
InChIKeyODCKFAGVBKCAOQ-FBHDLOMBSA-N
MW372.79 g/mol
LogP3.68
Rot. Bonds5

About 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136788333) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136788333
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N/N=C\c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-26-12-7-5-11(6-8-12)16-9-17(25)23-18(22-16)24-21-10-13-14(19)3-2-4-15(13)20/h2-10H,1H3,(H2,22,23,24,25)/b21-10-
InChIKeyODCKFAGVBKCAOQ-FBHDLOMBSA-N
XLogP3.68
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-(4-methoxyphenyl)-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136788409
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788418
2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788267
2-[(2Z)-2-[(3-chloro-4-propoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788332
2-[(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788262
2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146
2-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 140896075
2-[(2Z)-2-[(2-bromo-3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788360
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136791126
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869
4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788283
2-[(2E)-2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733347

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (CID 136788333) is 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(N/N=C\c3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is ODCKFAGVBKCAOQ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-26-12-7-5-11(6-8-12)16-9-17(25)23-18(22-16)24-21-10-13-14(19)3-2-4-15(13)20/h2-10H,1H3,(H2,22,23,24,25)/b21-10-.
What are the key properties of 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 372.79 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136788333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).