5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one

C11H15BrN2O2 — CID 136773826

IUPAC5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(Br)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H15BrN2O2/c1-7-8(12)9(15)14-10(13-7)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyVESNUFATGIIOKN-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.26
Rot. Bonds2

About 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one

5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136773826) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136773826
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(Br)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H15BrN2O2/c1-7-8(12)9(15)14-10(13-7)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyVESNUFATGIIOKN-UHFFFAOYSA-N
XLogP2.26
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (CID 136773826) is 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is COC1(c2nc(C)c(Br)c(=O)[nH]2)CCCC1.
What is the InChIKey of 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VESNUFATGIIOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-8(12)9(15)14-10(13-7)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136773826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).