5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C17H16N4O4 — CID 138392083

IUPAC5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC1=C(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)C(=O)C(c2ccccc2)C1C
InChIInChI=1S/C17H16N4O4/c1-8-9(2)12(14(22)11(8)10-6-4-3-5-7-10)20-21-13-15(23)18-17(25)19-16(13)24/h3-8,11H,1-2H3,(H3,18,19,23,24,25)/b21-20+
InChIKeyQDCMUGKHAAMQAL-QZQOTICOSA-N
MW340.34 g/mol
LogP2.13
Rot. Bonds3

About 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 138392083) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID138392083
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCC1=C(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)C(=O)C(c2ccccc2)C1C
InChIInChI=1S/C17H16N4O4/c1-8-9(2)12(14(22)11(8)10-6-4-3-5-7-10)20-21-13-15(23)18-17(25)19-16(13)24/h3-8,11H,1-2H3,(H3,18,19,23,24,25)/b21-20+
InChIKeyQDCMUGKHAAMQAL-QZQOTICOSA-N
XLogP2.13
TPSA127.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 138392083) is 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is CC1=C(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)C(=O)C(c2ccccc2)C1C.
What is the InChIKey of 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is QDCMUGKHAAMQAL-QZQOTICOSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-8-9(2)12(14(22)11(8)10-6-4-3-5-7-10)20-21-13-15(23)18-17(25)19-16(13)24/h3-8,11H,1-2H3,(H3,18,19,23,24,25)/b21-20+.
What are the key properties of 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 340.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethyl-5-oxo-4-phenylcyclopenten-1-yl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 138392083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).