4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

C12H17N3O2S — CID 135561777

IUPAC4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H17N3O2S/c1-8-9(2)13-12(14-11(8)17)18-7-10(16)15-5-3-4-6-15/h3-7H2,1-2H3,(H,13,14,17)
InChIKeyZAZQTRGGDHSYAQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.10
Rot. Bonds3

About 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135561777) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135561777
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H17N3O2S/c1-8-9(2)13-12(14-11(8)17)18-7-10(16)15-5-3-4-6-15/h3-7H2,1-2H3,(H,13,14,17)
InChIKeyZAZQTRGGDHSYAQ-UHFFFAOYSA-N
XLogP1.10
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 135561777) is 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is Cc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZAZQTRGGDHSYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-9(2)13-12(14-11(8)17)18-7-10(16)15-5-3-4-6-15/h3-7H2,1-2H3,(H,13,14,17).
What are the key properties of 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 267.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135561777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).