5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one

C9H10BrN3O2 — CID 130162711

IUPAC5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESO=C1CCC(Cn2cncc(Br)c2=O)N1
InChIInChI=1S/C9H10BrN3O2/c10-7-3-11-5-13(9(7)15)4-6-1-2-8(14)12-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyQAIZJQZAVOWCKL-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.28
Rot. Bonds2

About 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one

5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 130162711) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
PubChem CID130162711
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESO=C1CCC(Cn2cncc(Br)c2=O)N1
InChIInChI=1S/C9H10BrN3O2/c10-7-3-11-5-13(9(7)15)4-6-1-2-8(14)12-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyQAIZJQZAVOWCKL-UHFFFAOYSA-N
XLogP0.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]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-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66308165
2-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 66308294
5-Bromo-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66309552
5-Bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
CID 66310180
5-Bromo-3-[2-(cyclopentylamino)ethyl]pyrimidin-4-one
CID 66310431
5-bromo-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819828
5-bromo-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819829
5-bromo-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819832
5-bromo-2-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819833
3-[(5-Oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162707
5-bromo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956821
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one (CID 130162711) is 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is O=C1CCC(Cn2cncc(Br)c2=O)N1.
What is the InChIKey of 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is QAIZJQZAVOWCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-3-11-5-13(9(7)15)4-6-1-2-8(14)12-6/h3,5-6H,1-2,4H2,(H,12,14).
What are the key properties of 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one?
5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 272.10 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 130162711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).