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

C9H13FN2O2 — CID 15579801

IUPAC5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione
SMILESCCCCCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C9H13FN2O2/c1-2-3-4-5-12-8(13)7(10)6-11-9(12)14/h6H,2-5H2,1H3,(H,11,14)
InChIKeyFGSJKIUDVYVWRM-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.87
Rot. Bonds4

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

5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione (PubChem CID 15579801) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione
PubChem CID15579801
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione
SMILESCCCCCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C9H13FN2O2/c1-2-3-4-5-12-8(13)7(10)6-11-9(12)14/h6H,2-5H2,1H3,(H,11,14)
InChIKeyFGSJKIUDVYVWRM-UHFFFAOYSA-N
XLogP0.87
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-pentyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione (CID 15579801) is 5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione is CCCCCn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione?
The InChIKey is FGSJKIUDVYVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-2-3-4-5-12-8(13)7(10)6-11-9(12)14/h6H,2-5H2,1H3,(H,11,14).
What are the key properties of 5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione?
5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione has a molecular weight of 200.21 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-pentyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15579801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).