5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one

C9H10Br2N2O — CID 66308902

IUPAC5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC1(CBr)CC1
InChIInChI=1S/C9H10Br2N2O/c10-4-9(1-2-9)5-13-6-12-3-7(11)8(13)14/h3,6H,1-2,4-5H2
InChIKeyYSTZSJMOAXYPJF-UHFFFAOYSA-N
MW322.00 g/mol
LogP2.18
Rot. Bonds3

About 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one

5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one (PubChem CID 66308902) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one
PubChem CID66308902
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC1(CBr)CC1
InChIInChI=1S/C9H10Br2N2O/c10-4-9(1-2-9)5-13-6-12-3-7(11)8(13)14/h3,6H,1-2,4-5H2
InChIKeyYSTZSJMOAXYPJF-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.18
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

5-Bromo-3-(cyclopropylmethyl)pyrimidin-4-one
CID 66308511
5-Bromo-3-(1-methylcyclopropyl)pyrimidin-4-one
CID 166981743
5-Bromo-3-[(1-methylcyclopropyl)methyl]pyrimidin-4-one
CID 166981747
5-Bromo-3-(1-cyclopropylethyl)pyrimidin-4-one
CID 166981875
3-[[1-(Bromomethyl)cyclopropyl]methyl]pyrimidin-4-one
CID 65008680
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
5-Bromo-3-[2-(bromomethyl)butyl]pyrimidin-4-one
CID 66308063
5-Bromo-3-[[1-(bromomethyl)cyclopentyl]methyl]pyrimidin-4-one
CID 66308481
5-Bromo-3-[[1-(bromomethyl)cyclobutyl]methyl]pyrimidin-4-one
CID 66308482
5-Bromo-3-(3,3-dimethylbutyl)pyrimidin-4-one
CID 66308510

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one (CID 66308902) is 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one is O=c1c(Br)cncn1CC1(CBr)CC1.
What is the InChIKey of 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one?
The InChIKey is YSTZSJMOAXYPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c10-4-9(1-2-9)5-13-6-12-3-7(11)8(13)14/h3,6H,1-2,4-5H2.
What are the key properties of 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one?
5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one has a molecular weight of 322.00 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[1-(bromomethyl)cyclopropyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 66308902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).