5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one

C9H13BrN2O2 — CID 66284555

IUPAC5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C9H13BrN2O2/c1-5(2)3-4-6-11-8(13)7(10)9(14)12-6/h5H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyJDGNOSFRUJWJJQ-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.83
Rot. Bonds3

About 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 66284555) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID66284555
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCC(C)CCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C9H13BrN2O2/c1-5(2)3-4-6-11-8(13)7(10)9(14)12-6/h5H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyJDGNOSFRUJWJJQ-UHFFFAOYSA-N
XLogP1.83
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-hydroxy-2-(3-methylbutyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one (CID 66284555) is 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one is CC(C)CCc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is JDGNOSFRUJWJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-5(2)3-4-6-11-8(13)7(10)9(14)12-6/h5H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 261.12 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66284555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).