2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one

C17H22N4O3 — CID 136787651

IUPAC2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(/C=N\Nc2nc(CC)cc(=O)[nH]2)c(OCC)c1
InChIInChI=1S/C17H22N4O3/c1-4-13-9-16(22)20-17(19-13)21-18-11-12-7-8-14(23-5-2)10-15(12)24-6-3/h7-11H,4-6H2,1-3H3,(H2,19,20,21,22)/b18-11-
InChIKeyRPHAHIVESBODGJ-WQRHYEAKSA-N
MW330.39 g/mol
LogP2.58
Rot. Bonds8

About 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136787651) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID136787651
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(/C=N\Nc2nc(CC)cc(=O)[nH]2)c(OCC)c1
InChIInChI=1S/C17H22N4O3/c1-4-13-9-16(22)20-17(19-13)21-18-11-12-7-8-14(23-5-2)10-15(12)24-6-3/h7-11H,4-6H2,1-3H3,(H2,19,20,21,22)/b18-11-
InChIKeyRPHAHIVESBODGJ-WQRHYEAKSA-N
XLogP2.58
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787683
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707
2-[(2Z)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787545
2-[(2E)-2-[(3-ethoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733647
4-ethyl-2-[(2Z)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787587
2-[(2Z)-2-[(3,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787628
2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787634
4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787623
2-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920913
2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787540
4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787598
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 5344184

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one (CID 136787651) is 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one is CCOc1ccc(/C=N\Nc2nc(CC)cc(=O)[nH]2)c(OCC)c1.
What is the InChIKey of 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is RPHAHIVESBODGJ-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-13-9-16(22)20-17(19-13)21-18-11-12-7-8-14(23-5-2)10-15(12)24-6-3/h7-11H,4-6H2,1-3H3,(H2,19,20,21,22)/b18-11-.
What are the key properties of 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 330.39 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136787651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).