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

C8H11FN2O2 — CID 13171217

IUPAC3-butyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C8H11FN2O2/c1-2-3-4-11-7(12)6(9)5-10-8(11)13/h5H,2-4H2,1H3,(H,10,13)
InChIKeyGZNITQBWHCJRKI-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.48
Rot. Bonds3

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

3-butyl-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 13171217) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID13171217
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name3-butyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C8H11FN2O2/c1-2-3-4-11-7(12)6(9)5-10-8(11)13/h5H,2-4H2,1H3,(H,10,13)
InChIKeyGZNITQBWHCJRKI-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione (CID 13171217) is 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione is CCCCn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is GZNITQBWHCJRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-2-3-4-11-7(12)6(9)5-10-8(11)13/h5H,2-4H2,1H3,(H,10,13).
What are the key properties of 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione?
3-butyl-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 186.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 13171217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).