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

C10H12BrN3O2 — CID 168504278

IUPAC4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one
SMILESCOc1ccnc(N2CC(CBr)CC2=O)n1
InChIInChI=1S/C10H12BrN3O2/c1-16-8-2-3-12-10(13-8)14-6-7(5-11)4-9(14)15/h2-3,7H,4-6H2,1H3
InChIKeyLCUZTJSBUYRUFX-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.23
Rot. Bonds3

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

4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one (PubChem CID 168504278) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one
PubChem CID168504278
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one
SMILESCOc1ccnc(N2CC(CBr)CC2=O)n1
InChIInChI=1S/C10H12BrN3O2/c1-16-8-2-3-12-10(13-8)14-6-7(5-11)4-9(14)15/h2-3,7H,4-6H2,1H3
InChIKeyLCUZTJSBUYRUFX-UHFFFAOYSA-N
XLogP1.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-6-methoxy-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504219
4-(bromomethyl)-1-(6-methoxy-4-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504650
1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662484
4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
4-(bromomethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168504168
4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168504458
4-(bromomethyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168504283
4-(bromomethyl)-1-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 168504141
4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
CID 168505992
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one (CID 168504278) is 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one is COc1ccnc(N2CC(CBr)CC2=O)n1.
What is the InChIKey of 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one?
The InChIKey is LCUZTJSBUYRUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-16-8-2-3-12-10(13-8)14-6-7(5-11)4-9(14)15/h2-3,7H,4-6H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one has a molecular weight of 286.13 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).