1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione

C10H11BrN2O2 — CID 130289562

IUPAC1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCC3CC32)cc1Br
InChIInChI=1S/C10H11BrN2O2/c11-7-4-13(10(15)12-9(7)14)8-2-1-5-3-6(5)8/h4-6,8H,1-3H2,(H,12,14,15)
InChIKeyJQFYNGVVGOADHV-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.27
Rot. Bonds1

About 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione

1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione (PubChem CID 130289562) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione
PubChem CID130289562
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCC3CC32)cc1Br
InChIInChI=1S/C10H11BrN2O2/c11-7-4-13(10(15)12-9(7)14)8-2-1-5-3-6(5)8/h4-6,8H,1-3H2,(H,12,14,15)
InChIKeyJQFYNGVVGOADHV-UHFFFAOYSA-N
XLogP1.27
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione?
The IUPAC name of 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione (CID 130289562) is 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione?
The canonical SMILES for 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCC3CC32)cc1Br.
What is the InChIKey of 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione?
The InChIKey is JQFYNGVVGOADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-7-4-13(10(15)12-9(7)14)8-2-1-5-3-6(5)8/h4-6,8H,1-3H2,(H,12,14,15).
What are the key properties of 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione?
1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione has a molecular weight of 271.11 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[3.1.0]hexanyl)-5-bromopyrimidine-2,4-dione is sourced from PubChem (CID 130289562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).