4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one

C10H12ClN3O — CID 168508497

IUPAC4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1Cc1cncnc1
InChIInChI=1S/C10H12ClN3O/c11-2-8-1-10(15)14(5-8)6-9-3-12-7-13-4-9/h3-4,7-8H,1-2,5-6H2
InChIKeyWCHJALMXNIKIPG-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.06
Rot. Bonds3

About 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one

4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one (PubChem CID 168508497) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
PubChem CID168508497
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1Cc1cncnc1
InChIInChI=1S/C10H12ClN3O/c11-2-8-1-10(15)14(5-8)6-9-3-12-7-13-4-9/h3-4,7-8H,1-2,5-6H2
InChIKeyWCHJALMXNIKIPG-UHFFFAOYSA-N
XLogP1.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.06
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

[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168700328
4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168685494
4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one
CID 168508503
4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
CID 168508451
4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one
CID 168508472
4-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168507984
4-(chloromethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one
CID 168508177
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168505091
1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one (CID 168508497) is 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1Cc1cncnc1.
What is the InChIKey of 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is WCHJALMXNIKIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-2-8-1-10(15)14(5-8)6-9-3-12-7-13-4-9/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168508497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).