1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C12H10BrFN2O3 — CID 112598971

IUPAC1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(Br)cc2F)c(=O)[nH]c1=O
InChIInChI=1S/C12H10BrFN2O3/c1-2-7-10(17)15-12(19)16(11(7)18)9-4-3-6(13)5-8(9)14/h3-5,18H,2H2,1H3,(H,15,17,19)
InChIKeyCGOOFVXTUROQNJ-UHFFFAOYSA-N
MW329.13 g/mol
LogP1.70
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598971) has the molecular formula C12H10BrFN2O3 and a molecular weight of 329.13 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112598971
Molecular FormulaC12H10BrFN2O3
Molecular Weight329.13 g/mol
Exact Mass327.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(Br)cc2F)c(=O)[nH]c1=O
InChIInChI=1S/C12H10BrFN2O3/c1-2-7-10(17)15-12(19)16(11(7)18)9-4-3-6(13)5-8(9)14/h3-5,18H,2H2,1H3,(H,15,17,19)
InChIKeyCGOOFVXTUROQNJ-UHFFFAOYSA-N
XLogP1.70
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112598971) is 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2ccc(Br)cc2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CGOOFVXTUROQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3/c1-2-7-10(17)15-12(19)16(11(7)18)9-4-3-6(13)5-8(9)14/h3-5,18H,2H2,1H3,(H,15,17,19).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 329.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).