1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one

C9H10ClN3OS — CID 168709142

IUPAC1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
SMILESCc1cc(N2CC(S)CC2=O)nc(Cl)n1
InChIInChI=1S/C9H10ClN3OS/c1-5-2-7(12-9(10)11-5)13-4-6(15)3-8(13)14/h2,6,15H,3-4H2,1H3
InChIKeyULSKGNWGLNRYBT-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.47
Rot. Bonds1

About 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one

1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168709142) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
PubChem CID168709142
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
SMILESCc1cc(N2CC(S)CC2=O)nc(Cl)n1
InChIInChI=1S/C9H10ClN3OS/c1-5-2-7(12-9(10)11-5)13-4-6(15)3-8(13)14/h2,6,15H,3-4H2,1H3
InChIKeyULSKGNWGLNRYBT-UHFFFAOYSA-N
XLogP1.47
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697064
1-(6-chloro-5-methyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709069
S-[[1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667409
1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149
1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708954
4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168709050
3-(2-chloro-6-methylpyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 130285167
1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709125
1-(4-chloro-2,5-dimethylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709013
1-(6-chloro-5-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709041

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one (CID 168709142) is 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one is Cc1cc(N2CC(S)CC2=O)nc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is ULSKGNWGLNRYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-5-2-7(12-9(10)11-5)13-4-6(15)3-8(13)14/h2,6,15H,3-4H2,1H3.
What are the key properties of 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one?
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 243.72 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).