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

C18H16N4O2 — CID 136732836

IUPAC2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C18H16N4O2/c1-24-16-10-6-5-9-14(16)12-19-22-18-20-15(11-17(23)21-18)13-7-3-2-4-8-13/h2-12H,1H3,(H2,20,21,22,23)/b19-12+
InChIKeyBDJRWKNEUWGHAZ-XDHOZWIPSA-N
MW320.35 g/mol
LogP2.89
Rot. Bonds5

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

2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136732836) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136732836
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C18H16N4O2/c1-24-16-10-6-5-9-14(16)12-19-22-18-20-15(11-17(23)21-18)13-7-3-2-4-8-13/h2-12H,1H3,(H2,20,21,22,23)/b19-12+
InChIKeyBDJRWKNEUWGHAZ-XDHOZWIPSA-N
XLogP2.89
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 136732836) is 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is COc1ccccc1/C=N/Nc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is BDJRWKNEUWGHAZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-16-10-6-5-9-14(16)12-19-22-18-20-15(11-17(23)21-18)13-7-3-2-4-8-13/h2-12H,1H3,(H2,20,21,22,23)/b19-12+.
What are the key properties of 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 320.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136732836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).