2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one

C17H19N5O3 — CID 135824238

IUPAC2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCn1c(O)c(/N=N/c2nc(C)cc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C17H19N5O3/c1-3-25-9-8-22-13-7-5-4-6-12(13)15(16(22)24)20-21-17-18-11(2)10-14(23)19-17/h4-7,10,24H,3,8-9H2,1-2H3,(H,18,19,23)/b21-20+
InChIKeyGDZGXENQLOZIRM-QZQOTICOSA-N
MW341.37 g/mol
LogP3.19
Rot. Bonds6

About 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one

2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135824238) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135824238
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOCCn1c(O)c(/N=N/c2nc(C)cc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C17H19N5O3/c1-3-25-9-8-22-13-7-5-4-6-12(13)15(16(22)24)20-21-17-18-11(2)10-14(23)19-17/h4-7,10,24H,3,8-9H2,1-2H3,(H,18,19,23)/b21-20+
InChIKeyGDZGXENQLOZIRM-QZQOTICOSA-N
XLogP3.19
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-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-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824234
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-(2-oxo-1-pyridinyl)acetamide
CID 135702543
2-(3,5-dimethylphenoxy)-N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminoacetamide
CID 135674746
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
CID 135577019
1-(2-ethoxyethyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]diazenyl]indol-2-ol
CID 135730919
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
CID 135710555
3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
CID 3655965
3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
CID 135823984
1-(2-ethoxyethyl)-2-oxoquinoline-4-carboxylic acid
CID 62041809
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
CID 135812058
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one (CID 135824238) is 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one is CCOCCn1c(O)c(/N=N/c2nc(C)cc(=O)[nH]2)c2ccccc21.
What is the InChIKey of 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GDZGXENQLOZIRM-QZQOTICOSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-25-9-8-22-13-7-5-4-6-12(13)15(16(22)24)20-21-17-18-11(2)10-14(23)19-17/h4-7,10,24H,3,8-9H2,1-2H3,(H,18,19,23)/b21-20+.
What are the key properties of 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one?
2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 341.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135824238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).