5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one

C10H15BrN2O2 — CID 66309174

IUPAC5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one
SMILESCc1ncn(CCCCCO)c(=O)c1Br
InChIInChI=1S/C10H15BrN2O2/c1-8-9(11)10(15)13(7-12-8)5-3-2-4-6-14/h7,14H,2-6H2,1H3
InChIKeyBIAGTIWHCOCDEP-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.48
Rot. Bonds5

About 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one

5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one (PubChem CID 66309174) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one
PubChem CID66309174
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one
SMILESCc1ncn(CCCCCO)c(=O)c1Br
InChIInChI=1S/C10H15BrN2O2/c1-8-9(11)10(15)13(7-12-8)5-3-2-4-6-14/h7,14H,2-6H2,1H3
InChIKeyBIAGTIWHCOCDEP-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-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-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one (CID 66309174) is 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one is Cc1ncn(CCCCCO)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one?
The InChIKey is BIAGTIWHCOCDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-8-9(11)10(15)13(7-12-8)5-3-2-4-6-14/h7,14H,2-6H2,1H3.
What are the key properties of 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one?
5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one has a molecular weight of 275.15 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-hydroxypentyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 66309174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).