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

C12H11FN4O3 — CID 135672472

IUPAC5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C12H11FN4O3/c1-16-10(18)9(11(19)17(2)12(16)20)15-14-8-5-3-4-7(13)6-8/h3-6,18H,1-2H3/b15-14+
InChIKeyIQJJFVXRKOWRAM-CCEZHUSRSA-N
MW278.24 g/mol
LogP1.34
Rot. Bonds2

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

5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135672472) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135672472
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2cccc(F)c2)c(=O)n(C)c1=O
InChIInChI=1S/C12H11FN4O3/c1-16-10(18)9(11(19)17(2)12(16)20)15-14-8-5-3-4-7(13)6-8/h3-6,18H,1-2H3/b15-14+
InChIKeyIQJJFVXRKOWRAM-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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Related Compounds

CID 99311
CID 99311
CID 4309351
CID 4309351
CID 5202051
CID 5202051
CID 535986
CID 535986
CID 4418390
CID 4418390
CID 11086589
CID 11086589
CID 11832731
CID 11832731
CID 15859067
CID 15859067
CID 29923821
CID 29923821
CID 90859460
CID 90859460
CID 252190
CID 252190
CID 281532
CID 281532

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 135672472) is 5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/N=N/c2cccc(F)c2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IQJJFVXRKOWRAM-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-16-10(18)9(11(19)17(2)12(16)20)15-14-8-5-3-4-7(13)6-8/h3-6,18H,1-2H3/b15-14+.
What are the key properties of 5-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(3-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-[(3-fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135672472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).