5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one

C8H9BrN2O — CID 166981743

IUPAC5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one
SMILESCC1(n2cncc(Br)c2=O)CC1
InChIInChI=1S/C8H9BrN2O/c1-8(2-3-8)11-5-10-4-6(9)7(11)12/h4-5H,2-3H2,1H3
InChIKeyXRHWKNXYGDYTTA-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.51
Rot. Bonds1

About 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one

5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one (PubChem CID 166981743) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one
PubChem CID166981743
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one
SMILESCC1(n2cncc(Br)c2=O)CC1
InChIInChI=1S/C8H9BrN2O/c1-8(2-3-8)11-5-10-4-6(9)7(11)12/h4-5H,2-3H2,1H3
InChIKeyXRHWKNXYGDYTTA-UHFFFAOYSA-N
XLogP1.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one (CID 166981743) is 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one is CC1(n2cncc(Br)c2=O)CC1.
What is the InChIKey of 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one?
The InChIKey is XRHWKNXYGDYTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-8(2-3-8)11-5-10-4-6(9)7(11)12/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one?
5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one has a molecular weight of 229.08 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylcyclopropyl)pyrimidin-4-one is sourced from PubChem (CID 166981743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).