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

C17H13ClN4O — CID 136791126

IUPAC2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(N/N=C\c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C17H13ClN4O/c18-14-8-6-12(7-9-14)11-19-22-17-20-15(10-16(23)21-17)13-4-2-1-3-5-13/h1-11H,(H2,20,21,22,23)/b19-11-
InChIKeyIZKQUMREZQHRTK-ODLFYWEKSA-N
MW324.77 g/mol
LogP3.54
Rot. Bonds4

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

2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136791126) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136791126
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(N/N=C\c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C17H13ClN4O/c18-14-8-6-12(7-9-14)11-19-22-17-20-15(10-16(23)21-17)13-4-2-1-3-5-13/h1-11H,(H2,20,21,22,23)/b19-11-
InChIKeyIZKQUMREZQHRTK-ODLFYWEKSA-N
XLogP3.54
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-chloro-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788184
2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732974
4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136733569
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732929
2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733007
2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733499
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733134
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135719981
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920862
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2E)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733579

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 136791126) is 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(N/N=C\c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is IZKQUMREZQHRTK-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-8-6-12(7-9-14)11-19-22-17-20-15(10-16(23)21-17)13-4-2-1-3-5-13/h1-11H,(H2,20,21,22,23)/b19-11-.
What are the key properties of 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 324.77 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136791126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).