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

C13H19N3O2S — CID 135538759

IUPAC5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CCCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O2S/c1-3-10-9(2)14-13(15-12(10)18)19-8-11(17)16-6-4-5-7-16/h3-8H2,1-2H3,(H,14,15,18)
InChIKeyKKVIKCMKPAKKKR-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.36
Rot. Bonds4

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

5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135538759) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135538759
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CCCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O2S/c1-3-10-9(2)14-13(15-12(10)18)19-8-11(17)16-6-4-5-7-16/h3-8H2,1-2H3,(H,14,15,18)
InChIKeyKKVIKCMKPAKKKR-UHFFFAOYSA-N
XLogP1.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135690273
5-ethyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135455108
2-(5-Ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135538753
N-Cyclopentyl-2-(5-ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135546304
6-ethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561501
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135460585
5-ethyl-4-methyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135442429
2-[(5-Ethyl-4-hydroxy-6-methylpyrimidin-2-YL)sulfanyl]-N,N-diisopropylacetamide
CID 135442433
5,6-dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561777
2-((5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-propylacetamide
CID 135561949
2-((5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-isopropylacetamide
CID 135561950
N-allyl-2-((5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135561956

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 135538759) is 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is CCc1c(C)nc(SCC(=O)N2CCCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is KKVIKCMKPAKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-10-9(2)14-13(15-12(10)18)19-8-11(17)16-6-4-5-7-16/h3-8H2,1-2H3,(H,14,15,18).
What are the key properties of 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 281.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135538759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).