5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione

C11H8N4O5 — CID 3754088

IUPAC5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)[nH]1
InChIInChI=1S/C11H8N4O5/c16-9-2-1-7(15(19)20)3-6(9)4-12-8-5-13-11(18)14-10(8)17/h1-5,16H,(H2,13,14,17,18)/b12-4+
InChIKeyZUAHEBJNJCXRDA-UUILKARUSA-N
MW276.21 g/mol
LogP0.43
Rot. Bonds3

About 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione

5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione (PubChem CID 3754088) has the molecular formula C11H8N4O5 and a molecular weight of 276.21 g/mol. Its IUPAC name is 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione
PubChem CID3754088
Molecular FormulaC11H8N4O5
Molecular Weight276.21 g/mol
Exact Mass276.05
IUPAC Name5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)[nH]1
InChIInChI=1S/C11H8N4O5/c16-9-2-1-7(15(19)20)3-6(9)4-12-8-5-13-11(18)14-10(8)17/h1-5,16H,(H2,13,14,17,18)/b12-4+
InChIKeyZUAHEBJNJCXRDA-UUILKARUSA-N
XLogP0.43
TPSA141.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-2-oxoacetamide
CID 135438780
6-[(1E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-5-nitropyrimidine-2,4-diol
CID 5340978
4-Nitro-2-[(2-ethylaminoethylimino)methyl]phenol
CID 136430255
N-[(5E)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-3-methyl-4H-imidazol-2-yl]acetamide
CID 5467667
2,2'-((1e,11e)-2,5,8,11-Tetraazadodeca-1,11-diene-1,12-diyl)bis(4-nitrophenol)
CID 136653029
2-[2-(Methylammonio)ethyliminiomethyl]-4-nitrophenolate nitrate
CID 139070222
N-ethyl-N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide
CID 4488868
2-Hydroxy-5-nitrobenzaldehyde (6-oxo-1,6-dihydro-2-pyrimidinyl)hydrazone
CID 135470759
3-[(2-Hydroxy-5-nitrophenyl)methylideneamino]azepan-2-one
CID 136415728
5-[(2-hydroxy-3-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione
CID 162520001
6-Amino-5-[(2-hydroxy-3-nitrophenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 162520014
2-[2-(2-Aminoethylamino)ethyliminomethyl]-4-nitrophenol
CID 175409030

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione (CID 3754088) is 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)[nH]1.
What is the InChIKey of 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
The InChIKey is ZUAHEBJNJCXRDA-UUILKARUSA-N. The full InChI is InChI=1S/C11H8N4O5/c16-9-2-1-7(15(19)20)3-6(9)4-12-8-5-13-11(18)14-10(8)17/h1-5,16H,(H2,13,14,17,18)/b12-4+.
What are the key properties of 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione?
5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione has a molecular weight of 276.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-5-nitrophenyl)methylideneamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3754088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).