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

C14H21BrN2O2 — CID 136963992

IUPAC5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C(C)C)c(Br)c(=O)[nH]2)CCCC1
InChIInChI=1S/C14H21BrN2O2/c1-4-19-14(7-5-6-8-14)13-16-11(9(2)3)10(15)12(18)17-13/h9H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyWKUGDIXSXVEGIU-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.46
Rot. Bonds4

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

5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136963992) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136963992
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C(C)C)c(Br)c(=O)[nH]2)CCCC1
InChIInChI=1S/C14H21BrN2O2/c1-4-19-14(7-5-6-8-14)13-16-11(9(2)3)10(15)12(18)17-13/h9H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyWKUGDIXSXVEGIU-UHFFFAOYSA-N
XLogP3.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136951896
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013
5-bromo-2-(1-ethoxycyclohexyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964105
5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136963889
5-bromo-4-tert-butyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963928
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
CID 136963951
2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963792
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
4-tert-butyl-2-(1-ethoxycyclopentyl)-5-iodo-1H-pyrimidin-6-one
CID 136963939
2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941032

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136963992) is 5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one is CCOC1(c2nc(C(C)C)c(Br)c(=O)[nH]2)CCCC1.
What is the InChIKey of 5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WKUGDIXSXVEGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-19-14(7-5-6-8-14)13-16-11(9(2)3)10(15)12(18)17-13/h9H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 329.24 g/mol, XLogP of 3.46, 4 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).