5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione

C9H13FN2O2 — CID 81114417

IUPAC5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCCF)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O2/c1-2-7-6-12(5-3-4-10)9(14)11-8(7)13/h6H,2-5H2,1H3,(H,11,13,14)
InChIKeyGAVZVBGJKMLVNL-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.46
Rot. Bonds4

About 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione

5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione (PubChem CID 81114417) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione
PubChem CID81114417
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCCF)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O2/c1-2-7-6-12(5-3-4-10)9(14)11-8(7)13/h6H,2-5H2,1H3,(H,11,13,14)
InChIKeyGAVZVBGJKMLVNL-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione (CID 81114417) is 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione is CCc1cn(CCCF)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione?
The InChIKey is GAVZVBGJKMLVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-2-7-6-12(5-3-4-10)9(14)11-8(7)13/h6H,2-5H2,1H3,(H,11,13,14).
What are the key properties of 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione?
5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione has a molecular weight of 200.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-fluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 81114417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).