3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol

C18H21N5O — CID 135823984

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
SMILESCc1cc(C)nc(/N=N/c2c(O)n(CC(C)C)c3ccccc23)n1
InChIInChI=1S/C18H21N5O/c1-11(2)10-23-15-8-6-5-7-14(15)16(17(23)24)21-22-18-19-12(3)9-13(4)20-18/h5-9,11,24H,10H2,1-4H3/b22-21+
InChIKeyQMEGLXRFXKBWJT-QURGRASLSA-N
MW323.40 g/mol
LogP4.83
Rot. Bonds4

About 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol

3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol (PubChem CID 135823984) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
PubChem CID135823984
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
SMILESCc1cc(C)nc(/N=N/c2c(O)n(CC(C)C)c3ccccc23)n1
InChIInChI=1S/C18H21N5O/c1-11(2)10-23-15-8-6-5-7-14(15)16(17(23)24)21-22-18-19-12(3)9-13(4)20-18/h5-9,11,24H,10H2,1-4H3/b22-21+
InChIKeyQMEGLXRFXKBWJT-QURGRASLSA-N
XLogP4.83
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol
CID 3554621
3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
CID 135839900
4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
CID 135692431
N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4630970
1-[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino-3-(2-methoxyethyl)thiourea
CID 2341281
2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824238
2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824234
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
N,N'-bis[[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4503012
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
CID 4503009
3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
CID 3655965
10-(2-methylpropyl)acridin-9-one
CID 59742563

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol (CID 135823984) is 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol is Cc1cc(C)nc(/N=N/c2c(O)n(CC(C)C)c3ccccc23)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol?
The InChIKey is QMEGLXRFXKBWJT-QURGRASLSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11(2)10-23-15-8-6-5-7-14(15)16(17(23)24)21-22-18-19-12(3)9-13(4)20-18/h5-9,11,24H,10H2,1-4H3/b22-21+.
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol?
3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol has a molecular weight of 323.40 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol is sourced from PubChem (CID 135823984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).