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

C10H13N3O2S — CID 7183862

IUPAC6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one
SMILESO=C(CSc1ccnc(=O)[nH]1)N1CCCC1
InChIInChI=1S/C10H13N3O2S/c14-9(13-5-1-2-6-13)7-16-8-3-4-11-10(15)12-8/h3-4H,1-2,5-7H2,(H,11,12,15)
InChIKeyDDNXIFWTFOGNPR-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.48
Rot. Bonds3

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

6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one (PubChem CID 7183862) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one
PubChem CID7183862
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one
SMILESO=C(CSc1ccnc(=O)[nH]1)N1CCCC1
InChIInChI=1S/C10H13N3O2S/c14-9(13-5-1-2-6-13)7-16-8-3-4-11-10(15)12-8/h3-4H,1-2,5-7H2,(H,11,12,15)
InChIKeyDDNXIFWTFOGNPR-UHFFFAOYSA-N
XLogP0.48
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
6-[(4-fluorophenyl)methylsulfanyl]-1H-pyrimidin-2-one
CID 30595205
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(azocan-1-yl)ethanone
CID 43299913
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
2-(1-methylimidazol-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 4064035
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456
2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 61031200
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424414
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135415502
6-methyl-2-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350689
2-pyrimidin-2-ylsulfanyl-1-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 1239284

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one (CID 7183862) is 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one is O=C(CSc1ccnc(=O)[nH]1)N1CCCC1.
What is the InChIKey of 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one?
The InChIKey is DDNXIFWTFOGNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c14-9(13-5-1-2-6-13)7-16-8-3-4-11-10(15)12-8/h3-4H,1-2,5-7H2,(H,11,12,15).
What are the key properties of 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one?
6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one has a molecular weight of 239.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-2-one is sourced from PubChem (CID 7183862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).