4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)

C18H19N5NiO5+2 — CID 158320818

IUPAC4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)
SMILESCC(C)CN1C(=O)c2cccc(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)c2C1=O.[Ni+2]
InChIInChI=1S/C18H19N5O5.Ni/c1-9(2)8-23-14(24)10-6-5-7-11(12(10)15(23)25)19-20-13-16(26)21(3)18(28)22(4)17(13)27;/h5-7,9,26H,8H2,1-4H3;/q;+2/b20-19+;
InChIKeyGOVCJVNFDMRSJX-RZLHGTIFSA-N
MW444.07 g/mol
LogP1.45
Rot. Bonds4

About 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)

4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+) (PubChem CID 158320818) has the molecular formula C18H19N5NiO5+2 and a molecular weight of 444.07 g/mol. Its IUPAC name is 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+).

Molecular Properties

Compound Name4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)
PubChem CID158320818
Molecular FormulaC18H19N5NiO5+2
Molecular Weight444.07 g/mol
Exact Mass443.07
IUPAC Name4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)
SMILESCC(C)CN1C(=O)c2cccc(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)c2C1=O.[Ni+2]
InChIInChI=1S/C18H19N5O5.Ni/c1-9(2)8-23-14(24)10-6-5-7-11(12(10)15(23)25)19-20-13-16(26)21(3)18(28)22(4)17(13)27;/h5-7,9,26H,8H2,1-4H3;/q;+2/b20-19+;
InChIKeyGOVCJVNFDMRSJX-RZLHGTIFSA-N
XLogP1.45
TPSA126.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.07
LogP ≤ 51.45
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

4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 158320819
4-[[1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;ethane
CID 143507747
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-pentan-3-ylisoindole-1,3-dione;nickel(2+)
CID 159066696
2-hydroxy-1-methyl-5-[[2-(2-methylpropyl)-1,3-dioxoisoindol-4-yl]diazenyl]-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile;nickel(2+)
CID 158113360
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
4-[(4-methoxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 143507806
4-[(2-methoxy-4-oxo-1,5-dioxaspiro[5.5]undec-2-en-3-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 143507975
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methoxy-5-phenoxyisoindole-1,3-dione;palladium(2+)
CID 158125702
copper 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-methylbenzo[e]isoindole-1,3-dione
CID 158751448
6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione
CID 135767021
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-4-[(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]isoindole-1,3-dione
CID 143507895
6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione
CID 535986

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)?
The IUPAC name of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+) (CID 158320818) is 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+).
What is the SMILES notation for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)?
The canonical SMILES for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+) is CC(C)CN1C(=O)c2cccc(/N=N/c3c(O)n(C)c(=O)n(C)c3=O)c2C1=O.[Ni+2].
What is the InChIKey of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)?
The InChIKey is GOVCJVNFDMRSJX-RZLHGTIFSA-N. The full InChI is InChI=1S/C18H19N5O5.Ni/c1-9(2)8-23-14(24)10-6-5-7-11(12(10)15(23)25)19-20-13-16(26)21(3)18(28)22(4)17(13)27;/h5-7,9,26H,8H2,1-4H3;/q;+2/b20-19+;.
What are the key properties of 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+)?
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+) has a molecular weight of 444.07 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-2-(2-methylpropyl)isoindole-1,3-dione;nickel(2+) is sourced from PubChem (CID 158320818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).