5-fluoro-1,3-dipentylpyrimidine-2,4-dione

C14H23FN2O2 — CID 15579796

IUPAC5-fluoro-1,3-dipentylpyrimidine-2,4-dione
SMILESCCCCCn1cc(F)c(=O)n(CCCCC)c1=O
InChIInChI=1S/C14H23FN2O2/c1-3-5-7-9-16-11-12(15)13(18)17(14(16)19)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyAWBZNOWRXXDDMM-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.53
Rot. Bonds8

About 5-fluoro-1,3-dipentylpyrimidine-2,4-dione

5-fluoro-1,3-dipentylpyrimidine-2,4-dione (PubChem CID 15579796) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-fluoro-1,3-dipentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1,3-dipentylpyrimidine-2,4-dione
PubChem CID15579796
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name5-fluoro-1,3-dipentylpyrimidine-2,4-dione
SMILESCCCCCn1cc(F)c(=O)n(CCCCC)c1=O
InChIInChI=1S/C14H23FN2O2/c1-3-5-7-9-16-11-12(15)13(18)17(14(16)19)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyAWBZNOWRXXDDMM-UHFFFAOYSA-N
XLogP2.53
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dipentylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1,3-dipentylpyrimidine-2,4-dione (CID 15579796) is 5-fluoro-1,3-dipentylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1,3-dipentylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1,3-dipentylpyrimidine-2,4-dione is CCCCCn1cc(F)c(=O)n(CCCCC)c1=O.
What is the InChIKey of 5-fluoro-1,3-dipentylpyrimidine-2,4-dione?
The InChIKey is AWBZNOWRXXDDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-3-5-7-9-16-11-12(15)13(18)17(14(16)19)10-8-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 5-fluoro-1,3-dipentylpyrimidine-2,4-dione?
5-fluoro-1,3-dipentylpyrimidine-2,4-dione has a molecular weight of 270.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dipentylpyrimidine-2,4-dione is sourced from PubChem (CID 15579796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).