4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one

C12H8N4O6 — CID 126352446

IUPAC4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(/C=C\c2cccc([N+](=O)[O-])c2)nc(O)c1[N+](=O)[O-]
InChIInChI=1S/C12H8N4O6/c17-11-10(16(21)22)12(18)14-9(13-11)5-4-7-2-1-3-8(6-7)15(19)20/h1-6H,(H2,13,14,17,18)/b5-4-
InChIKeyKLAXVGLTGVEIKB-PLNGDYQASA-N
MW304.22 g/mol
LogP1.46
Rot. Bonds4

About 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one

4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one (PubChem CID 126352446) has the molecular formula C12H8N4O6 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one
PubChem CID126352446
Molecular FormulaC12H8N4O6
Molecular Weight304.22 g/mol
Exact Mass304.04
IUPAC Name4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(/C=C\c2cccc([N+](=O)[O-])c2)nc(O)c1[N+](=O)[O-]
InChIInChI=1S/C12H8N4O6/c17-11-10(16(21)22)12(18)14-9(13-11)5-4-7-2-1-3-8(6-7)15(19)20/h1-6H,(H2,13,14,17,18)/b5-4-
InChIKeyKLAXVGLTGVEIKB-PLNGDYQASA-N
XLogP1.46
TPSA152.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-5-nitro-2-[(Z)-2-[3-[(4-nitrophenyl)methoxy]phenyl]ethenyl]-1H-pyrimidin-6-one
CID 126358608
4-hydroxy-5-nitro-2-[(Z)-2-[3-(2-phenoxyethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 71710722
2-[(E)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
CID 135581322
4-hydroxy-5-nitro-2-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-1H-pyrimidin-6-one
CID 92929386
4-hydroxy-5-nitro-2-[(Z)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrimidin-6-one
CID 126338706
4-hydroxy-5-nitro-2-[(Z)-2-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]ethenyl]-1H-pyrimidin-6-one
CID 126346298
4-hydroxy-2-[(Z)-2-[4-[(3-methylphenyl)methoxy]phenyl]ethenyl]-5-nitro-1H-pyrimidin-6-one
CID 126344733
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
CID 66485317
4-hydroxy-2-[(Z)-2-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]ethenyl]-5-nitro-1H-pyrimidin-6-one
CID 126348652
2-[(E)-2-[3-bromo-4-(diethylamino)phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
CID 6087904
2-[2-(3-nitrophenyl)ethenyl]-1H-benzimidazole;hydrochloride
CID 71966072

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one (CID 126352446) is 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one is O=c1[nH]c(/C=C\c2cccc([N+](=O)[O-])c2)nc(O)c1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one?
The InChIKey is KLAXVGLTGVEIKB-PLNGDYQASA-N. The full InChI is InChI=1S/C12H8N4O6/c17-11-10(16(21)22)12(18)14-9(13-11)5-4-7-2-1-3-8(6-7)15(19)20/h1-6H,(H2,13,14,17,18)/b5-4-.
What are the key properties of 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one?
4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one has a molecular weight of 304.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-nitro-2-[(Z)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 126352446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).