1-cyclopentyl-5-fluoropyrimidine-2,4-dione

C9H11FN2O2 — CID 10352697

IUPAC1-cyclopentyl-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCC2)cc1F
InChIInChI=1S/C9H11FN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14)
InChIKeyMHMLXDKJBVQDIL-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.79
Rot. Bonds1

About 1-cyclopentyl-5-fluoropyrimidine-2,4-dione

1-cyclopentyl-5-fluoropyrimidine-2,4-dione (PubChem CID 10352697) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-cyclopentyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopentyl-5-fluoropyrimidine-2,4-dione
PubChem CID10352697
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name1-cyclopentyl-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCC2)cc1F
InChIInChI=1S/C9H11FN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14)
InChIKeyMHMLXDKJBVQDIL-UHFFFAOYSA-N
XLogP0.79
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-cyclopentyl-5-fluoropyrimidine-2,4-dione (CID 10352697) is 1-cyclopentyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopentyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopentyl-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCC2)cc1F.
What is the InChIKey of 1-cyclopentyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is MHMLXDKJBVQDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14).
What are the key properties of 1-cyclopentyl-5-fluoropyrimidine-2,4-dione?
1-cyclopentyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 198.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 10352697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).