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

C10H15BrN2O3 — CID 116705752

IUPAC5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C10H15BrN2O3/c1-3-5-6(16-4-2)8-12-9(14)7(11)10(15)13-8/h6H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyBJPXJFYIOJZLNU-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.12
Rot. Bonds5

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

5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705752) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705752
Molecular FormulaC10H15BrN2O3
Molecular Weight291.15 g/mol
Exact Mass290.03
IUPAC Name5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C10H15BrN2O3/c1-3-5-6(16-4-2)8-12-9(14)7(11)10(15)13-8/h6H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyBJPXJFYIOJZLNU-UHFFFAOYSA-N
XLogP2.12
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 66285352
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-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-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617475
5-bromo-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82836954
5-bromo-4-hydroxy-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249139
4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705669
2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116705752) is 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one is CCCC(OCC)c1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BJPXJFYIOJZLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-3-5-6(16-4-2)8-12-9(14)7(11)10(15)13-8/h6H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 291.15 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).