copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione

C19H15CuN5O5+2 — CID 158751448

IUPACcopper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione
SMILESCN1C(=O)c2c(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)cc3ccccc3c2C1=O.[Cu+2]
InChIInChI=1S/C19H15N5O5.Cu/c1-22-15(25)12-10-7-5-4-6-9(10)8-11(13(12)16(22)26)20-21-14-17(27)23(2)19(29)24(3)18(14)28;/h4-8,27H,1-3H3;/q;+2/b21-20+;
InChIKeyINNLMRQPLHFWJU-ANVLNOONSA-N
MW456.91 g/mol
LogP1.58
Rot. Bonds2

About copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione

copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione (PubChem CID 158751448) has the molecular formula C19H15CuN5O5+2 and a molecular weight of 456.91 g/mol. Its IUPAC name is copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Namecopper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione
PubChem CID158751448
Molecular FormulaC19H15CuN5O5+2
Molecular Weight456.91 g/mol
Exact Mass456.04
IUPAC Namecopper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione
SMILESCN1C(=O)c2c(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)cc3ccccc3c2C1=O.[Cu+2]
InChIInChI=1S/C19H15N5O5.Cu/c1-22-15(25)12-10-7-5-4-6-9(10)8-11(13(12)16(22)26)20-21-14-17(27)23(2)19(29)24(3)18(14)28;/h4-8,27H,1-3H3;/q;+2/b21-20+;
InChIKeyINNLMRQPLHFWJU-ANVLNOONSA-N
XLogP1.58
TPSA126.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione
CID 135767021
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 158320819
5-[(Z)-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135548542
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-pentan-3-ylisoindole-1,3-dione;nickel(2+)
CID 159066696
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)
CID 158320818
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)
CID 158125702
6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione
CID 535986
5,7-dichloro-4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)
CID 158887382
1-benzyl-8-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 156593072
1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10358574
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118

Frequently Asked Questions

What is the IUPAC name of copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione?
The IUPAC name of copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione (CID 158751448) is copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione.
What is the SMILES notation for copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione?
The canonical SMILES for copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione is CN1C(=O)c2c(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)cc3ccccc3c2C1=O.[Cu+2].
What is the InChIKey of copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione?
The InChIKey is INNLMRQPLHFWJU-ANVLNOONSA-N. The full InChI is InChI=1S/C19H15N5O5.Cu/c1-22-15(25)12-10-7-5-4-6-9(10)8-11(13(12)16(22)26)20-21-14-17(27)23(2)19(29)24(3)18(14)28;/h4-8,27H,1-3H3;/q;+2/b21-20+;.
What are the key properties of copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione?
copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione has a molecular weight of 456.91 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 158751448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).