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

C10H15BrN2O — CID 65010972

IUPAC3-[2-(bromomethyl)pentyl]pyrimidin-4-one
SMILESCCCC(CBr)Cn1cnccc1=O
InChIInChI=1S/C10H15BrN2O/c1-2-3-9(6-11)7-13-8-12-5-4-10(13)14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyCGWGJOPLFGUCGD-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.05
Rot. Bonds5

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

3-[2-(bromomethyl)pentyl]pyrimidin-4-one (PubChem CID 65010972) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-[2-(bromomethyl)pentyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(bromomethyl)pentyl]pyrimidin-4-one
PubChem CID65010972
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name3-[2-(bromomethyl)pentyl]pyrimidin-4-one
SMILESCCCC(CBr)Cn1cnccc1=O
InChIInChI=1S/C10H15BrN2O/c1-2-3-9(6-11)7-13-8-12-5-4-10(13)14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyCGWGJOPLFGUCGD-UHFFFAOYSA-N
XLogP2.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)pentyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(bromomethyl)pentyl]pyrimidin-4-one (CID 65010972) is 3-[2-(bromomethyl)pentyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(bromomethyl)pentyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(bromomethyl)pentyl]pyrimidin-4-one is CCCC(CBr)Cn1cnccc1=O.
What is the InChIKey of 3-[2-(bromomethyl)pentyl]pyrimidin-4-one?
The InChIKey is CGWGJOPLFGUCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-2-3-9(6-11)7-13-8-12-5-4-10(13)14/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 3-[2-(bromomethyl)pentyl]pyrimidin-4-one?
3-[2-(bromomethyl)pentyl]pyrimidin-4-one has a molecular weight of 259.15 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)pentyl]pyrimidin-4-one is sourced from PubChem (CID 65010972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).