2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C14H16N4O2 — CID 135509502

IUPAC2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccccc1/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O2/c1-3-20-12-7-5-4-6-11(12)9-15-18-14-16-10(2)8-13(19)17-14/h4-9H,3H2,1-2H3,(H2,16,17,18,19)/b15-9+
InChIKeyHVMIVQWDZJMNAM-OQLLNIDSSA-N
MW272.31 g/mol
LogP1.92
Rot. Bonds5

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

2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135509502) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135509502
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccccc1/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O2/c1-3-20-12-7-5-4-6-11(12)9-15-18-14-16-10(2)8-13(19)17-14/h4-9H,3H2,1-2H3,(H2,16,17,18,19)/b15-9+
InChIKeyHVMIVQWDZJMNAM-OQLLNIDSSA-N
XLogP1.92
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.92
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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Related Compounds

4-Hydroxy-2-(2-hydroxybenzylidenehydrazino)-6-methylpyrimidine
CID 135460298
2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 5335657
4-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
CID 9701618
6-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 9657274
2-amino-3-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 9657312
2,3-Dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135454477
3-Ethoxy-4-hydroxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470891
2-Hydroxybenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135471898
2-[2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135502495
methyl 4-[[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 135675929
(4E)-4-[(2E)-(2-propoxybenzylidene)hydrazinylidene]-3,4-dihydropyrimidin-2(1H)-one
CID 9700012
2,5-Dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)hydrazone
CID 135454486

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135509502) is 2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCOc1ccccc1/C=N/Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HVMIVQWDZJMNAM-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-20-12-7-5-4-6-11(12)9-15-18-14-16-10(2)8-13(19)17-14/h4-9H,3H2,1-2H3,(H2,16,17,18,19)/b15-9+.
What are the key properties of 2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 272.31 g/mol, XLogP of 1.92, 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-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135509502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).