5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one

C14H21BrN2O2 — CID 136963889

IUPAC5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2(OCC)CCCC2)[nH]c(=O)c1Br
InChIInChI=1S/C14H21BrN2O2/c1-3-7-10-11(15)12(18)17-13(16-10)14(19-4-2)8-5-6-9-14/h3-9H2,1-2H3,(H,16,17,18)
InChIKeyLKRUMPVAFTVFBA-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.29
Rot. Bonds5

About 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one

5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136963889) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136963889
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2(OCC)CCCC2)[nH]c(=O)c1Br
InChIInChI=1S/C14H21BrN2O2/c1-3-7-10-11(15)12(18)17-13(16-10)14(19-4-2)8-5-6-9-14/h3-9H2,1-2H3,(H,16,17,18)
InChIKeyLKRUMPVAFTVFBA-UHFFFAOYSA-N
XLogP3.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.29
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-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one (CID 136963889) is 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one is CCCc1nc(C2(OCC)CCCC2)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is LKRUMPVAFTVFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-7-10-11(15)12(18)17-13(16-10)14(19-4-2)8-5-6-9-14/h3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 329.24 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).