1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one

C11H15BrN2O — CID 65007936

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC2(CBr)CCC2)c1
InChIInChI=1S/C11H15BrN2O/c1-9-5-13-10(15)14(6-9)8-11(7-12)3-2-4-11/h5-6H,2-4,7-8H2,1H3
InChIKeyWNWWJXCKQUQBPT-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.12
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one

1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one (PubChem CID 65007936) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one
PubChem CID65007936
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC2(CBr)CCC2)c1
InChIInChI=1S/C11H15BrN2O/c1-9-5-13-10(15)14(6-9)8-11(7-12)3-2-4-11/h5-6H,2-4,7-8H2,1H3
InChIKeyWNWWJXCKQUQBPT-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromobutyl)-5-methylpyrimidin-2-one
CID 63206171
1-(5-Bromopentyl)-5-methylpyrimidin-2-one
CID 64203149
1-[2-(Bromomethyl)butyl]-5-methylpyrimidin-2-one
CID 64995257
1-(3-Bromo-2,2-dimethylpropyl)-5-methylpyrimidin-2-one
CID 64995258
1-[2-(Bromomethyl)-2-ethylbutyl]-5-methylpyrimidin-2-one
CID 64998303
1-[[1-(Bromomethyl)cyclopentyl]methyl]-5-methylpyrimidin-2-one
CID 65001590
1-[[1-(Bromomethyl)cyclohexyl]methyl]-5-methylpyrimidin-2-one
CID 65002390
1-[2-(Bromomethyl)-2-propylpentyl]-5-methylpyrimidin-2-one
CID 65006076
1-[[1-(Bromomethyl)cyclobutyl]methyl]pyrimidin-2-one
CID 65007347
1-[[1-(Bromomethyl)cyclopropyl]methyl]-5-methylpyrimidin-2-one
CID 65008573
1-[[1-(Bromomethyl)cycloheptyl]methyl]-5-methylpyrimidin-2-one
CID 65010098
1-[2-(Bromomethyl)pentyl]-5-methylpyrimidin-2-one
CID 65010860

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one (CID 65007936) is 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC2(CBr)CCC2)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one?
The InChIKey is WNWWJXCKQUQBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-9-5-13-10(15)14(6-9)8-11(7-12)3-2-4-11/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one?
1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one has a molecular weight of 271.16 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 65007936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).