5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one

C8H9BrN2O — CID 66316576

IUPAC5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1CC1c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C8H9BrN2O/c1-4-2-5(4)7-10-3-6(9)8(12)11-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyNTZASIWNWARBDF-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.66
Rot. Bonds1

About 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one

5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one (PubChem CID 66316576) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
PubChem CID66316576
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1CC1c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C8H9BrN2O/c1-4-2-5(4)7-10-3-6(9)8(12)11-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyNTZASIWNWARBDF-UHFFFAOYSA-N
XLogP1.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one (CID 66316576) is 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one is CC1CC1c1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is NTZASIWNWARBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-4-2-5(4)7-10-3-6(9)8(12)11-7/h3-5H,2H2,1H3,(H,10,11,12).
What are the key properties of 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 229.08 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylcyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66316576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).