1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one

C9H11BrN4O — CID 168506379

IUPAC1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
SMILESNc1nccnc1N1CC(CBr)CC1=O
InChIInChI=1S/C9H11BrN4O/c10-4-6-3-7(15)14(5-6)9-8(11)12-1-2-13-9/h1-2,6H,3-5H2,(H2,11,12)
InChIKeyXWFWBSVILBQZLZ-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.81
Rot. Bonds2

About 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one

1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one (PubChem CID 168506379) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
PubChem CID168506379
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
SMILESNc1nccnc1N1CC(CBr)CC1=O
InChIInChI=1S/C9H11BrN4O/c10-4-6-3-7(15)14(5-6)9-8(11)12-1-2-13-9/h1-2,6H,3-5H2,(H2,11,12)
InChIKeyXWFWBSVILBQZLZ-UHFFFAOYSA-N
XLogP0.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-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

4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168505869
4-(bromomethyl)-1-(4,6-diaminopyrimidin-5-yl)pyrrolidin-2-one
CID 168505923
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbaldehyde
CID 168505901
4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168504473
1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505981
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-chloropyridine-3-carbaldehyde
CID 168506365
4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168506383
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
4-(bromomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168505878
4-(bromomethyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-one
CID 168504806

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one (CID 168506379) is 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one is Nc1nccnc1N1CC(CBr)CC1=O.
What is the InChIKey of 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one?
The InChIKey is XWFWBSVILBQZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c10-4-6-3-7(15)14(5-6)9-8(11)12-1-2-13-9/h1-2,6H,3-5H2,(H2,11,12).
What are the key properties of 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one?
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one has a molecular weight of 271.12 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168506379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).