5-butyl-3-fluoro-1H-pyrimidine-2,4-dione

C8H11FN2O2 — CID 174651068

IUPAC5-butyl-3-fluoro-1H-pyrimidine-2,4-dione
SMILESCCCCc1c[nH]c(=O)n(F)c1=O
InChIInChI=1S/C8H11FN2O2/c1-2-3-4-6-5-10-8(13)11(9)7(6)12/h5H,2-4H2,1H3,(H,10,13)
InChIKeyIHNONULJHKXUTL-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.61
Rot. Bonds3

About 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione

5-butyl-3-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 174651068) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-fluoro-1H-pyrimidine-2,4-dione
PubChem CID174651068
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name5-butyl-3-fluoro-1H-pyrimidine-2,4-dione
SMILESCCCCc1c[nH]c(=O)n(F)c1=O
InChIInChI=1S/C8H11FN2O2/c1-2-3-4-6-5-10-8(13)11(9)7(6)12/h5H,2-4H2,1H3,(H,10,13)
InChIKeyIHNONULJHKXUTL-UHFFFAOYSA-N
XLogP0.61
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione (CID 174651068) is 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione is CCCCc1c[nH]c(=O)n(F)c1=O.
What is the InChIKey of 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is IHNONULJHKXUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-2-3-4-6-5-10-8(13)11(9)7(6)12/h5H,2-4H2,1H3,(H,10,13).
What are the key properties of 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione?
5-butyl-3-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 186.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174651068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).