1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one

C10H12ClN3OS — CID 168670618

IUPAC1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCc1cc(Cl)nc(N2CC(CS)CC2=O)n1
InChIInChI=1S/C10H12ClN3OS/c1-6-2-8(11)13-10(12-6)14-4-7(5-16)3-9(14)15/h2,7,16H,3-5H2,1H3
InChIKeyIVSWYIATDAYHCP-UHFFFAOYSA-N
MW257.75 g/mol
LogP1.72
Rot. Bonds2

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

1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168670618) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168670618
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCc1cc(Cl)nc(N2CC(CS)CC2=O)n1
InChIInChI=1S/C10H12ClN3OS/c1-6-2-8(11)13-10(12-6)14-4-7(5-16)3-9(14)15/h2,7,16H,3-5H2,1H3
InChIKeyIVSWYIATDAYHCP-UHFFFAOYSA-N
XLogP1.72
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 51.72
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-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671847
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
1-(3,5-dichlorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672023
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
1-(6-chloro-5-methyl-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670637
4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168687885
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
1-(6-chloropyridazin-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671631
1-(3-hydroxy-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670457
1-(2-bromo-4-chloro-6-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670611
1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168670618) is 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one is Cc1cc(Cl)nc(N2CC(CS)CC2=O)n1.
What is the InChIKey of 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is IVSWYIATDAYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-6-2-8(11)13-10(12-6)14-4-7(5-16)3-9(14)15/h2,7,16H,3-5H2,1H3.
What are the key properties of 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 257.75 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168670618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).