1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione

C8H11FN2O3 — CID 112598288

IUPAC1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCC(C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-3-4(2)11-7(13)5(9)6(12)10-8(11)14/h4,13H,3H2,1-2H3,(H,10,12,14)
InChIKeySQGCETFAAVFCGY-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.35
Rot. Bonds2

About 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598288) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112598288
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCC(C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-3-4(2)11-7(13)5(9)6(12)10-8(11)14/h4,13H,3H2,1-2H3,(H,10,12,14)
InChIKeySQGCETFAAVFCGY-UHFFFAOYSA-N
XLogP0.35
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112598288) is 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione is CCC(C)n1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is SQGCETFAAVFCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-3-4(2)11-7(13)5(9)6(12)10-8(11)14/h4,13H,3H2,1-2H3,(H,10,12,14).
What are the key properties of 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).