1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione

C12H19FN2O3 — CID 91396299

IUPAC1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(F)c(=O)n(CCCC)c1=O
InChIInChI=1S/C12H19FN2O3/c1-3-5-7-14-10(16)9(13)11(17)15(12(14)18)8-6-4-2/h16H,3-8H2,1-2H3
InChIKeyZJFRIIQYMCFKEJ-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.45
Rot. Bonds6

About 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione

1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 91396299) has the molecular formula C12H19FN2O3 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID91396299
Molecular FormulaC12H19FN2O3
Molecular Weight258.29 g/mol
Exact Mass258.14
IUPAC Name1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(F)c(=O)n(CCCC)c1=O
InChIInChI=1S/C12H19FN2O3/c1-3-5-7-14-10(16)9(13)11(17)15(12(14)18)8-6-4-2/h16H,3-8H2,1-2H3
InChIKeyZJFRIIQYMCFKEJ-UHFFFAOYSA-N
XLogP1.45
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-1,3-dipentylpyrimidine-2,4(1H,3H)-dione
CID 15579796
2,4(1H,3H)-Pyrimidinedione, 1,3-dibutyl-5-fluoro-
CID 546412
1,3-Diethyl-6-hydroxypyrimidine-2,4-dione
CID 14496865
5-Fluoro-1,3-dipropylpyrimidine-2,4(1H,3H)-dione
CID 13144372
3-Ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 90819372
1-[2-[Ethyl(propyl)amino]ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 105977793
1-[2-[Butan-2-yl(methyl)amino]ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 105977830
1-Butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
5-Fluoro-6-hydroxy-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 112598432
5-Fluoro-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598467
1-[3-(Dimethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598518
1-[3-(Diethylamino)propyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598581

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 91396299) is 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione is CCCCn1c(O)c(F)c(=O)n(CCCC)c1=O.
What is the InChIKey of 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ZJFRIIQYMCFKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3/c1-3-5-7-14-10(16)9(13)11(17)15(12(14)18)8-6-4-2/h16H,3-8H2,1-2H3.
What are the key properties of 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 258.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 91396299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).