4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

C11H15N3O2S — CID 135443943

IUPAC4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C11H15N3O2S/c1-8-6-9(15)13-11(12-8)17-7-10(16)14-4-2-3-5-14/h6H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyMYUDVPAXFGBEPU-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.79
Rot. Bonds3

About 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135443943) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135443943
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C11H15N3O2S/c1-8-6-9(15)13-11(12-8)17-7-10(16)14-4-2-3-5-14/h6H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyMYUDVPAXFGBEPU-UHFFFAOYSA-N
XLogP0.79
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 135443943) is 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCC(=O)N2CCCC2)n1.
What is the InChIKey of 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is MYUDVPAXFGBEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-6-9(15)13-11(12-8)17-7-10(16)14-4-2-3-5-14/h6H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 253.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135443943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).