4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one

C10H12ClN3O — CID 168688388

IUPAC4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
SMILESCc1cc(C)nc(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C10H12ClN3O/c1-6-3-7(2)13-10(12-6)14-5-8(11)4-9(14)15/h3,8H,4-5H2,1-2H3
InChIKeyMVSTXRNNNBXUIR-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.44
Rot. Bonds1

About 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one

4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one (PubChem CID 168688388) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
PubChem CID168688388
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
SMILESCc1cc(C)nc(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C10H12ClN3O/c1-6-3-7(2)13-10(12-6)14-5-8(11)4-9(14)15/h3,8H,4-5H2,1-2H3
InChIKeyMVSTXRNNNBXUIR-UHFFFAOYSA-N
XLogP1.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.44
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-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168687885
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149
4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
CID 168688156
1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670618
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951
4-chloro-1-(3-hydroxy-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688103
4-chloro-1-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 168688096
4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168688452
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
CID 168688290
1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714658

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one (CID 168688388) is 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one is Cc1cc(C)nc(N2CC(Cl)CC2=O)n1.
What is the InChIKey of 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one?
The InChIKey is MVSTXRNNNBXUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-6-3-7(2)13-10(12-6)14-5-8(11)4-9(14)15/h3,8H,4-5H2,1-2H3.
What are the key properties of 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one?
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168688388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).