5-bromo-1-cyclopentylpyrimidine-2,4-dione

C9H11BrN2O2 — CID 16724015

IUPAC5-bromo-1-cyclopentylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCC2)cc1Br
InChIInChI=1S/C9H11BrN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14)
InChIKeyBGOXBPDVHHBDBI-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.41
Rot. Bonds1

About 5-bromo-1-cyclopentylpyrimidine-2,4-dione

5-bromo-1-cyclopentylpyrimidine-2,4-dione (PubChem CID 16724015) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-1-cyclopentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-cyclopentylpyrimidine-2,4-dione
PubChem CID16724015
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-1-cyclopentylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCC2)cc1Br
InChIInChI=1S/C9H11BrN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14)
InChIKeyBGOXBPDVHHBDBI-UHFFFAOYSA-N
XLogP1.41
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopentylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-cyclopentylpyrimidine-2,4-dione (CID 16724015) is 5-bromo-1-cyclopentylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-cyclopentylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-cyclopentylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCC2)cc1Br.
What is the InChIKey of 5-bromo-1-cyclopentylpyrimidine-2,4-dione?
The InChIKey is BGOXBPDVHHBDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/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 5-bromo-1-cyclopentylpyrimidine-2,4-dione?
5-bromo-1-cyclopentylpyrimidine-2,4-dione has a molecular weight of 259.10 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopentylpyrimidine-2,4-dione is sourced from PubChem (CID 16724015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).