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

C8H11BrN2O3 — CID 116705751

IUPAC5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCC(OC)c1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H11BrN2O3/c1-3-4(14-2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyCLLOUWCAAGUFJQ-UHFFFAOYSA-N
MW263.09 g/mol
LogP1.34
Rot. Bonds3

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

5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 116705751) has the molecular formula C8H11BrN2O3 and a molecular weight of 263.09 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID116705751
Molecular FormulaC8H11BrN2O3
Molecular Weight263.09 g/mol
Exact Mass262.00
IUPAC Name5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCC(OC)c1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H11BrN2O3/c1-3-4(14-2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyCLLOUWCAAGUFJQ-UHFFFAOYSA-N
XLogP1.34
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
5-bromo-4-hydroxy-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 66284567
5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284748
5-bromo-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 66284959
5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66285557
5-bromo-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66285757
5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 66285964
2-(1-ethoxyethyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286779
5-bromo-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286972
5-bromo-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66287366
5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 66316362

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one (CID 116705751) is 5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one is CCC(OC)c1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is CLLOUWCAAGUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3/c1-3-4(14-2)6-10-7(12)5(9)8(13)11-6/h4H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 263.09 g/mol, XLogP of 1.34, 3 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-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).