2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C16H16N4O2 — CID 135689751

IUPAC2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1oc2ccccc2c1/C=N\Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C16H16N4O2/c1-3-13-12(11-6-4-5-7-14(11)22-13)9-17-20-16-18-10(2)8-15(21)19-16/h4-9H,3H2,1-2H3,(H2,18,19,20,21)/b17-9-
InChIKeyKZUJEDKDKMLTCR-MFOYZWKCSA-N
MW296.33 g/mol
LogP2.83
Rot. Bonds4

About 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135689751) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135689751
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1oc2ccccc2c1/C=N\Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C16H16N4O2/c1-3-13-12(11-6-4-5-7-14(11)22-13)9-17-20-16-18-10(2)8-15(21)19-16/h4-9H,3H2,1-2H3,(H2,18,19,20,21)/b17-9-
InChIKeyKZUJEDKDKMLTCR-MFOYZWKCSA-N
XLogP2.83
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.83
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-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135689751) is 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCc1oc2ccccc2c1/C=N\Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KZUJEDKDKMLTCR-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-13-12(11-6-4-5-7-14(11)22-13)9-17-20-16-18-10(2)8-15(21)19-16/h4-9H,3H2,1-2H3,(H2,18,19,20,21)/b17-9-.
What are the key properties of 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 296.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135689751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).