5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C17H12N4O4 — CID 2863650

IUPAC5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H12N4O4/c22-14(10-4-2-1-3-5-10)11-6-8-12(9-7-11)20-21-13-15(23)18-17(25)19-16(13)24/h1-9H,(H3,18,19,23,24,25)/b21-20+
InChIKeyGRWJCXDHSAFBCZ-QZQOTICOSA-N
MW336.31 g/mol
LogP2.42
Rot. Bonds4

About 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 2863650) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID2863650
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H12N4O4/c22-14(10-4-2-1-3-5-10)11-6-8-12(9-7-11)20-21-13-15(23)18-17(25)19-16(13)24/h1-9H,(H3,18,19,23,24,25)/b21-20+
InChIKeyGRWJCXDHSAFBCZ-QZQOTICOSA-N
XLogP2.42
TPSA127.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-N-methylbenzamide
CID 136651148
2-chloro-4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764240
5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135997650
3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-4-methylbenzoate
CID 2125591
N-[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-3-oxopropyl]benzamide
CID 2326914
4-chloro-3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764242
5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 138392083
5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione
CID 137199513
methyl 4-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)diazenyl]benzoate
CID 939169
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 2754543
7,9-dihydro-3H-purine-2,6,8-trione;diphenylmethanone
CID 159655980
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 2863650) is 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=C(c1ccccc1)c1ccc(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is GRWJCXDHSAFBCZ-QZQOTICOSA-N. The full InChI is InChI=1S/C17H12N4O4/c22-14(10-4-2-1-3-5-10)11-6-8-12(9-7-11)20-21-13-15(23)18-17(25)19-16(13)24/h1-9H,(H3,18,19,23,24,25)/b21-20+.
What are the key properties of 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 336.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2863650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).