2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide

C12H10N4O6 — CID 3550295

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O6/c17-9-2-1-7(5-8(9)16(21)22)13-11(19)6-15-4-3-10(18)14-12(15)20/h1-5,17H,6H2,(H,13,19)(H,14,18,20)
InChIKeyHIYZMSMAHUDEIQ-UHFFFAOYSA-N
MW306.23 g/mol
LogP-0.21
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide (PubChem CID 3550295) has the molecular formula C12H10N4O6 and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide
PubChem CID3550295
Molecular FormulaC12H10N4O6
Molecular Weight306.23 g/mol
Exact Mass306.06
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O6/c17-9-2-1-7(5-8(9)16(21)22)13-11(19)6-15-4-3-10(18)14-12(15)20/h1-5,17H,6H2,(H,13,19)(H,14,18,20)
InChIKeyHIYZMSMAHUDEIQ-UHFFFAOYSA-N
XLogP-0.21
TPSA147.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-(4-Hydroxy-3-nitrophenyl)acetamide
CID 3322389
5-[(2-Hydroxy-5-nitrophenyl)hydrazinylidene]-1,3-diazinane-2,4,6-trione
CID 3634327
3-(4-hydroxy-3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 18427282
4-(1-N-trifluoroacetyl-4-piperazinyl)nitrophenol
CID 18783783
1-(4-Hydroxy-3-nitrophenyl)-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 70286819
2-(N-[2-(N-acetyl-4-hydroxy-3-nitroanilino)acetyl]anilino)acetamide
CID 139117506
5-Fluoro-1-(4-hydroxy-3-nitrophenyl)pyrimidine-2,4-dione
CID 22217097
N-(2-fluoro-6-hydroxyphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60332774
N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103894413
3-hydroxy-2-[(2-hydroxy-5-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 136104266
Niosh/TN0379450
CID 155569849
1,3-Bis(4-hydroxy-3-nitrophenyl)urea
CID 172880241

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide (CID 3550295) is 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide?
The InChIKey is HIYZMSMAHUDEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O6/c17-9-2-1-7(5-8(9)16(21)22)13-11(19)6-15-4-3-10(18)14-12(15)20/h1-5,17H,6H2,(H,13,19)(H,14,18,20).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide has a molecular weight of 306.23 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-nitrophenyl)acetamide is sourced from PubChem (CID 3550295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).