4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one

C10H11BrFN3O2 — CID 168504217

IUPAC4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CBr)CC2=O)n1
InChIInChI=1S/C10H11BrFN3O2/c1-17-10-13-4-7(12)9(14-10)15-5-6(3-11)2-8(15)16/h4,6H,2-3,5H2,1H3
InChIKeyMRZWDKUJEJEABJ-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.37
Rot. Bonds3

About 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168504217) has the molecular formula C10H11BrFN3O2 and a molecular weight of 304.12 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168504217
Molecular FormulaC10H11BrFN3O2
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CBr)CC2=O)n1
InChIInChI=1S/C10H11BrFN3O2/c1-17-10-13-4-7(12)9(14-10)15-5-6(3-11)2-8(15)16/h4,6H,2-3,5H2,1H3
InChIKeyMRZWDKUJEJEABJ-UHFFFAOYSA-N
XLogP1.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one (CID 168504217) is 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one is COc1ncc(F)c(N2CC(CBr)CC2=O)n1.
What is the InChIKey of 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is MRZWDKUJEJEABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O2/c1-17-10-13-4-7(12)9(14-10)15-5-6(3-11)2-8(15)16/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 304.12 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168504217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).