4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one

C9H9BrClN3O — CID 168506043

IUPAC4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1cc(Cl)ncn1
InChIInChI=1S/C9H9BrClN3O/c10-3-6-1-9(15)14(4-6)8-2-7(11)12-5-13-8/h2,5-6H,1,3-4H2
InChIKeyZJGLNPFNIFPQSW-UHFFFAOYSA-N
MW290.55 g/mol
LogP1.88
Rot. Bonds2

About 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168506043) has the molecular formula C9H9BrClN3O and a molecular weight of 290.55 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168506043
Molecular FormulaC9H9BrClN3O
Molecular Weight290.55 g/mol
Exact Mass288.96
IUPAC Name4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1cc(Cl)ncn1
InChIInChI=1S/C9H9BrClN3O/c10-3-6-1-9(15)14(4-6)8-2-7(11)12-5-13-8/h2,5-6H,1,3-4H2
InChIKeyZJGLNPFNIFPQSW-UHFFFAOYSA-N
XLogP1.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 51.88
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

4-(bromomethyl)-1-(4,6-diaminopyrimidin-5-yl)pyrrolidin-2-one
CID 168505923
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
4-(bromomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168505878
5-bromo-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168505824
4-(bromomethyl)-1-(3,5-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168505634
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168504458
1-(5-bromo-4-chloro-2-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509146
1-(4-amino-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505396
1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505646
1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505260
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504642

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one (CID 168506043) is 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1cc(Cl)ncn1.
What is the InChIKey of 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is ZJGLNPFNIFPQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3O/c10-3-6-1-9(15)14(4-6)8-2-7(11)12-5-13-8/h2,5-6H,1,3-4H2.
What are the key properties of 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 290.55 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168506043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).