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

C10H13BrN2O3 — CID 104609920

IUPAC5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(Br)c(=O)[nH]2)CCCC1
InChIInChI=1S/C10H13BrN2O3/c1-16-10(4-2-3-5-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15)
InChIKeyUQKLSFLPFMTQEF-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.65
Rot. Bonds2

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

5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 104609920) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID104609920
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(Br)c(=O)[nH]2)CCCC1
InChIInChI=1S/C10H13BrN2O3/c1-16-10(4-2-3-5-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15)
InChIKeyUQKLSFLPFMTQEF-UHFFFAOYSA-N
XLogP1.65
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201859
5-bromo-4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166554
5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80689849
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609921
5-bromo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609933
5-bromo-2-(1-ethoxycyclopentyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559550
5-bromo-2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559551
5-bromo-2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559552

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 104609920) is 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2nc(O)c(Br)c(=O)[nH]2)CCCC1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is UQKLSFLPFMTQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-16-10(4-2-3-5-10)9-12-7(14)6(11)8(15)13-9/h2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 289.13 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 104609920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).