5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C12H11FN4O3 — CID 2753914

IUPAC5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2ccc(F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H11FN4O3/c1-16-10(18)9(11(19)17(2)12(16)20)15-14-8-5-3-7(13)4-6-8/h3-6,18H,1-2H3/b15-14+
InChIKeyFPHJRCSUYMUKMX-CCEZHUSRSA-N
MW278.24 g/mol
LogP1.34
Rot. Bonds2

About 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2753914) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2753914
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2ccc(F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H11FN4O3/c1-16-10(18)9(11(19)17(2)12(16)20)15-14-8-5-3-7(13)4-6-8/h3-6,18H,1-2H3/b15-14+
InChIKeyFPHJRCSUYMUKMX-CCEZHUSRSA-N
XLogP1.34
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 2753914) is 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/N=N/c2ccc(F)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FPHJRCSUYMUKMX-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-16-10(18)9(11(19)17(2)12(16)20)15-14-8-5-3-7(13)4-6-8/h3-6,18H,1-2H3/b15-14+.
What are the key properties of 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 278.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2753914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).