2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C15H18N4O — CID 135458782

IUPAC2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1ccc(/C(C)=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H18N4O/c1-4-12-5-7-13(8-6-12)11(3)18-19-15-16-10(2)9-14(20)17-15/h5-9H,4H2,1-3H3,(H2,16,17,19,20)/b18-11+
InChIKeySHJYGWSXURLFPK-WOJGMQOQSA-N
MW270.34 g/mol
LogP2.48
Rot. Bonds4

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

2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135458782) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135458782
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1ccc(/C(C)=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H18N4O/c1-4-12-5-7-13(8-6-12)11(3)18-19-15-16-10(2)9-14(20)17-15/h5-9H,4H2,1-3H3,(H2,16,17,19,20)/b18-11+
InChIKeySHJYGWSXURLFPK-WOJGMQOQSA-N
XLogP2.48
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.48
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-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135465283
2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135435551
2-[2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135424200
2-[(2Z)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824144
2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
CID 135521075
2-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824185
2-[(2Z)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824188
4-methyl-2-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460315
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135611342
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824051
4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135435247
2-[(2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824258

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135458782) is 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCc1ccc(/C(C)=N/Nc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SHJYGWSXURLFPK-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-12-5-7-13(8-6-12)11(3)18-19-15-16-10(2)9-14(20)17-15/h5-9H,4H2,1-3H3,(H2,16,17,19,20)/b18-11+.
What are the key properties of 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 270.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135458782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).