5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one

C10H14Br2N2O — CID 66309549

IUPAC5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one
SMILESCCCC(CBr)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H14Br2N2O/c1-2-3-8(4-11)6-14-7-13-5-9(12)10(14)15/h5,7-8H,2-4,6H2,1H3
InChIKeyIPNDYNMWIYZSIA-UHFFFAOYSA-N
MW338.04 g/mol
LogP2.82
Rot. Bonds5

About 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one

5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one (PubChem CID 66309549) has the molecular formula C10H14Br2N2O and a molecular weight of 338.04 g/mol. Its IUPAC name is 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one
PubChem CID66309549
Molecular FormulaC10H14Br2N2O
Molecular Weight338.04 g/mol
Exact Mass335.95
IUPAC Name5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one
SMILESCCCC(CBr)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H14Br2N2O/c1-2-3-8(4-11)6-14-7-13-5-9(12)10(14)15/h5,7-8H,2-4,6H2,1H3
InChIKeyIPNDYNMWIYZSIA-UHFFFAOYSA-N
XLogP2.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-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

Related Compounds

5-Bromo-3-(2-methylpropyl)pyrimidin-4-one
CID 66310188
5-Bromo-3-(cyclobutylmethyl)pyrimidin-4-one
CID 66310421
5-Bromo-3-(1-methylcyclobutyl)pyrimidin-4-one
CID 166981742
5-Bromo-3-(1-cyclopropylethyl)pyrimidin-4-one
CID 166981875
3-[2-(Bromomethyl)butyl]pyrimidin-4-one
CID 64995494
3-[2-(Bromomethyl)pentyl]pyrimidin-4-one
CID 65010972
3-[2-(Bromomethyl)-3-methylbutyl]pyrimidin-4-one
CID 65011984
3-(5-Bromo-3-methylpentyl)pyrimidin-4-one
CID 65653008
3-[2-(Bromomethyl)-3-methylbutyl]-5-iodopyrimidin-4-one
CID 66307800
5-Bromo-3-(5-bromopentyl)pyrimidin-4-one
CID 66307859
5-Bromo-3-[2-(bromomethyl)-2-ethylbutyl]pyrimidin-4-one
CID 66307861
5-Bromo-3-(3-bromo-2,2-dimethylpropyl)pyrimidin-4-one
CID 66307862

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one (CID 66309549) is 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one is CCCC(CBr)Cn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one?
The InChIKey is IPNDYNMWIYZSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O/c1-2-3-8(4-11)6-14-7-13-5-9(12)10(14)15/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one?
5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one has a molecular weight of 338.04 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(bromomethyl)pentyl]pyrimidin-4-one is sourced from PubChem (CID 66309549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).